Chemical Properties of Venlafaxine-M (O-desmethyl-HO-) isomer-2 2AC

Venlafaxine-M (O-desmethyl-HO-) isomer-2 2AC

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InChI
InChI=1S/C21H31NO5/c1-15(23)26-20-13-17(25-5)9-10-18(20)19(14-22(3)4)21(27-16(2)24)11-7-6-8-12-21/h9-10,13,19H,6-8,11-12,14H2,1-5H3
InChI Key
YZXFKLFVHWDYLU-UHFFFAOYSA-N
Formula
C21H31NO5
SMILES
COc1ccc(C(CN(C)C)C2(OC(C)=O)CCCCC2)c(OC(C)=O)c1
Molecular Weight1
377.47
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Physical Properties

Property Value Unit Source
ΔfG° -226.45 kJ/mol Joback Calculated Property
ΔfH°gas -753.19 kJ/mol Joback Calculated Property
ΔfusH° 35.21 kJ/mol Joback Calculated Property
ΔvapH° 87.59 kJ/mol Joback Calculated Property
log10WS -4.30 Crippen Calculated Property
logPoct/wat 3.532 Crippen Calculated Property
McVol 302.860 ml/mol McGowan Calculated Property
Pc 1477.02 kPa Joback Calculated Property
Inp 2500.00 NIST
Tboil 923.31 K Joback Calculated Property
Tc 1147.93 K Joback Calculated Property
Tfus 593.19 K Joback Calculated Property
Vc 1.113 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [1004.29; 1109.35] J/mol×K [923.31; 1147.93] Show Hide
Cp,gas 1004.29 J/mol×K 923.31 Joback Calculated Property
Cp,gas 1023.44 J/mol×K 960.75 Joback Calculated Property
Cp,gas 1041.77 J/mol×K 998.18 Joback Calculated Property
Cp,gas 1059.41 J/mol×K 1035.62 Joback Calculated Property
Cp,gas 1076.47 J/mol×K 1073.05 Joback Calculated Property
Cp,gas 1093.08 J/mol×K 1110.49 Joback Calculated Property
Cp,gas 1109.35 J/mol×K 1147.93 Joback Calculated Property

Similar Compounds

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Find more compounds similar to Venlafaxine-M (O-desmethyl-HO-) isomer-2 2AC.

Sources

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