Chemical Properties of Doxepin M(HO), acetylated, isomer # 1

Doxepin M(HO), acetylated, isomer # 1

InChI
InChI=1S/C21H23NO3/c1-15(23)25-20-12-6-10-19-18(11-7-13-22(2)3)17-9-5-4-8-16(17)14-24-21(19)20/h4-6,8-12H,7,13-14H2,1-3H3/b18-11-
InChI Key
KXTVPIGPNLBPMJ-WQRHYEAKSA-N
Formula
C21H23NO3
SMILES
CC(=O)Oc1cccc2c1OCc1ccccc1C2=CCCN(C)C
Molecular Weight1
337.41
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Physical Properties

Property Value Unit Source
ω 0.7799 Relay (1.0) Calculated Property
ΔfG° 226.53 kJ/mol Joback Calculated Property
ΔfH°gas -275.78 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 48.23 kJ/mol Joback Calculated Property
ΔvapH° 115.41 kJ/mol Relay (1.0) Calculated Property
IE 7.57 eV Relay (1.0) Calculated Property
log10WS -3.99 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 2540.00 NIST
Tboil 697.24 K Relay (1.0) Calculated Property
Tc 958.99 K Relay (1.0) Calculated Property
Tfus 413.82 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 # 1. Doxepin M(HO), acetylated, isomer # 2. Doxepin M(Nor-HO), diacetylated, isomer # 2. 5-(3-Acetyl(methyl)aminopropylidene)-10-oxa-10,11-dihydro-5H-dibenzo[a,d]cycloheptene. Doxepin. azadirachtin. Moexipril desethyl 3Me (Moexprilate 3Me). Bicyclohexyl-1,1'-diol, , 2-(N,N-dimethylaminomethyl)-ferroceneboronate. Moexipril Me. Vobassan-17-oic acid, 4-demethyl-3-oxo-, methyl ester. Doxepin M(N-oxide). Rescinnamine. 6-acetyl-3-propionyl-morphine. 3-propionyl-morphine. Brucine.

Find more compounds similar to Doxepin M(HO), acetylated, isomer # 1.

Sources

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