Chemical Properties of Doxepin M(HO), acetylated, isomer # 2

Doxepin M(HO), acetylated, isomer # 2

InChI
InChI=1S/C21H23NO3/c1-15(23)25-17-10-11-21-20(13-17)19(9-6-12-22(2)3)18-8-5-4-7-16(18)14-24-21/h4-5,7-11,13H,6,12,14H2,1-3H3/b19-9-
InChI Key
GAUAFNSGTMTBJR-OCKHKDLRSA-N
Formula
C21H23NO3
SMILES
CC(=O)Oc1ccc2c(c1)C(=CCCN(C)C)c1ccccc1CO2
Molecular Weight1
337.41
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Physical Properties

Property Value Unit Source
ω 0.7848 Relay (1.0) Calculated Property
ΔfG° 226.53 kJ/mol Joback Calculated Property
ΔfH°gas -280.80 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 48.23 kJ/mol Joback Calculated Property
ΔvapH° 114.20 kJ/mol Relay (1.0) Calculated Property
IE 7.58 eV Relay (1.0) Calculated Property
log10WS -4.25 Relay (1.0) Calculated Property
logPoct/wat 3.888 Crippen Calculated Property
McVol 267.360 ml/mol McGowan Calculated Property
Pc 1750.67 kPa Joback Calculated Property
Inp 2583.00 NIST
Tboil 705.10 K Relay (1.0) Calculated Property
Tc 961.81 K Relay (1.0) Calculated Property
Tfus 429.22 K Relay (1.0) Calculated Property
Vc 0.959 m3/kmol Relay (1.0) Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [817.40; 894.97] J/mol×K [881.91; 1112.34] Show Hide
Cp,gas 817.40 J/mol×K 881.91 Joback Calculated Property
Cp,gas 832.50 J/mol×K 920.31 Joback Calculated Property
Cp,gas 846.59 J/mol×K 958.72 Joback Calculated Property
Cp,gas 859.78 J/mol×K 997.12 Joback Calculated Property
Cp,gas 872.17 J/mol×K 1035.53 Joback Calculated Property
Cp,gas 883.86 J/mol×K 1073.93 Joback Calculated Property
Cp,gas 894.97 J/mol×K 1112.34 Joback Calculated Property

Similar Compounds

Doxepin M(Nor-HO), diacetylated, isomer # 2. Doxepin M(HO), acetylated, isomer # 1. Doxepin M(Nor-HO), diacetylated, isomer # 1. Doxepin. 5-(3-Acetyl(methyl)aminopropylidene)-10-oxa-10,11-dihydro-5H-dibenzo[a,d]cycloheptene. Doxepin M(N-oxide). Desmethyldoxepin. Desmethyldoxepin, N-trimethylsilyl-. Bicyclohexyl-1,1'-diol, , 2-(N,N-dimethylaminomethyl)-ferroceneboronate. Moexipril desethyl 3Me (Moexprilate 3Me). azadirachtin. Vobassan-17-oic acid, 4-demethyl-3-oxo-, methyl ester. Moexipril Me. Moexipril desethyl - H2O Me (Moexprilate - H2O Me). Aflatoxin G1.

Find more compounds similar to Doxepin M(HO), acetylated, isomer # 2.

Sources

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