Merge f559f60 into a945bed

CalebBell · May 24, 2022 · 97a53ac · 97a53ac
2 parents a945bed + f559f60
commit 97a53ac
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Showing 94 changed files with 243,556 additions and 243,289 deletions.
diff --git a/.github/workflows/build.yml b/.github/workflows/build.yml
@@ -13,7 +13,7 @@ jobs:
     strategy:
       fail-fast: false
       matrix:
-        python-version: ['3.6', '3.7', '3.8', '3.9', 'pypy-3.6'] # pandas won't build c extensions on 'pypy-3.7' right now
+        python-version: ['3.6', '3.7', '3.8', '3.9', '3.10', 'pypy-3.6'] # pandas won't build c extensions on 'pypy-3.7' right now
         os: [windows-latest, ubuntu-latest, macos-latest]
         architecture: ['x86', 'x64']
         exclude:
@@ -40,6 +40,10 @@ jobs:
           # no python builds available on linux 32 bit
           - os: ubuntu-latest
             architecture: x86
+          # Scipy dropped 32 bit windows
+          - os: windows-latest
+            architecture: x86
+            python-version: 3.10
     steps:
     - uses: actions/checkout@v2
     - name: Set up Python ${{ matrix.python-version }} ${{ matrix.architecture }}
@@ -80,7 +84,7 @@ jobs:
         python -m pip install wheel
         pip install -r requirements_test.txt
     - name: Add numba
-      if: ${{ matrix.python-version == '3.7' || matrix.python-version == '3.8' || matrix.python-version == '3.9' }}
+      if: ${{ matrix.python-version == '3.7' || matrix.python-version == '3.8' || matrix.python-version == '3.9' || matrix.python-version == '3.10' }}
       run: |
         pip install numba
     #- name: Test with low memory

diff --git a/chemicals/Critical Properties/IUPACOrganicCriticalProps.tsv b/chemicals/Critical Properties/IUPACOrganicCriticalProps.tsv
@@ -478,7 +478,7 @@ CAS	Chemical	MW	Tc	Pc	Vc	Zc	Reference
 462-95-3	diethoxymethane	104.149	531.7				7
 463-49-0	propadiene	40.065	394	5250000			6
 463-82-1	2,2-dimethylpropane	72.15	433.8	3196000	0.0003070	0.272	5
-0464-06-02	2,2,3-trimethylbutane	100.204	531.1	2950000	0.0003980	0.265	5
+464-06-2	2,2,3-trimethylbutane	100.204	531.1	2950000	0.0003980	0.265	5
 493-01-6	cis-bicyclo[4.4.0]decane	138.253	703.6	3200000			5
 493-02-7	trans-bicyclo[4.4.0]decane	138.253	687				5
 496-11-7	indan	118.178	684.9	3950000			3
@@ -781,7 +781,7 @@ CAS	Chemical	MW	Tc	Pc	Vc	Zc	Reference
 52447-22-0	tridecafluoroheptanoyl chloride	382.507	519.8	1450000	0.0006520	0.219	11
 53772-78-4	difluoro-bis(trifluoromethoxy)methane	220.018	372.4	2330000	0.0003610	0.271	11
 54822-22-9	2,2,3,3,4,4,5,5-octafluoropentanoic acid methyl ester	260.082	559	2320000	0.0005020	0.251	11
-56567-3	2-methyl-3-pentanol	102.177	576	3460000			4
+565-67-3	2-methyl-3-pentanol	102.177	576	3460000			4
 56860-81-2	3-difluoromethoxy-1,1,1,2,2-pentafluoropropane	200.055	455.1	2773000	0.0003470	0.255	11
 57041-67-5	1,1,1,2-tetrafluoro-2-(difluoromethoxy)ethane	168.038	428.9	3042000	0.0003150	0.269	11
 59426-77-6	1,1,1,2,2,3,3-heptafluoro-3-(trifluoromethoxy)propane	254.026	391.7	1870000	0.0004030	0.232	11

diff --git a/chemicals/Critical Properties/PassutDanner1973.tsv b/chemicals/Critical Properties/PassutDanner1973.tsv
@@ -1,4 +1,4 @@
-CASRN	Chemical	Tc	Pc	omega
+CAS	Chemical	Tc	Pc	omega
 71-43-2	Benzene	562.161111111111	4898035.58106655	0.21
 74-82-8	Methane	190.577777777778	4604318.92037759	0.0072
 74-84-0	Ethane	305.422222222222	4880109.21210431	0.0908

diff --git a/chemicals/Critical Properties/Yaws Collection.tsv b/chemicals/Critical Properties/Yaws Collection.tsv
@@ -1,4 +1,4 @@
-CASRN	Chemical	Tc	Pc	Vc	omega
+CAS	Chemical	Tc	Pc	Vc	omega
 50-00-0	formaldehyde	408	6586000	0.000105	0.282
 50-21-5	lactic acid	675	5960000	0.000251	1.022
 50-70-4	sorbitol	868	4640000	0.000483	2.213