Chemical Properties of Doxepin M(Nor-HO), diacetylated, isomer # 2

Doxepin M(Nor-HO), diacetylated, isomer # 2

InChI
InChI=1S/C22H23NO4/c1-15(24)23(3)12-6-9-20-19-8-5-4-7-17(19)14-26-22-11-10-18(13-21(20)22)27-16(2)25/h4-5,7-11,13H,6,12,14H2,1-3H3/b20-9-
InChI Key
INNJDGTVZHFFEU-UKWGHVSLSA-N
Formula
C22H23NO4
SMILES
CC(=O)Oc1ccc2c(c1)C(=CCCN(C)C(C)=O)c1ccccc1CO2
Molecular Weight1
365.42
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Physical Properties

Property Value Unit Source
ω 0.8571 Relay (1.0) Calculated Property
ΔfG° 106.03 kJ/mol Joback Calculated Property
ΔfH°gas -469.50 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 52.42 kJ/mol Joback Calculated Property
ΔvapH° 126.13 kJ/mol Relay (1.0) Calculated Property
IE 7.70 eV Relay (1.0) Calculated Property
log10WS -3.91 Relay (1.0) Calculated Property
logPoct/wat 3.804 Crippen Calculated Property
McVol 283.020 ml/mol McGowan Calculated Property
Pc 1703.31 kPa Joback Calculated Property
Inp 3036.00 NIST
Tboil 723.53 K Relay (1.0) Calculated Property
Tc 999.97 K Relay (1.0) Calculated Property
Tfus 418.21 K Relay (1.0) Calculated Property
Vc 1.015 m3/kmol Relay (1.0) Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [886.96; 957.42] J/mol×K [958.66; 1193.60] Show Hide
Cp,gas 886.96 J/mol×K 958.66 Joback Calculated Property
Cp,gas 900.61 J/mol×K 997.82 Joback Calculated Property
Cp,gas 913.35 J/mol×K 1036.97 Joback Calculated Property
Cp,gas 925.28 J/mol×K 1076.13 Joback Calculated Property
Cp,gas 936.53 J/mol×K 1115.29 Joback Calculated Property
Cp,gas 947.21 J/mol×K 1154.45 Joback Calculated Property
Cp,gas 957.42 J/mol×K 1193.60 Joback Calculated Property

Similar Compounds

Doxepin M(Nor-HO), diacetylated, isomer # 1. Doxepin M(HO), acetylated, isomer # 2. 5-(3-Acetyl(methyl)aminopropylidene)-10-oxa-10,11-dihydro-5H-dibenzo[a,d]cycloheptene. Doxepin M(HO), acetylated, isomer # 1. Doxepin. 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. Nicodicodine. Eburnamenine-14-carboxylic acid, 14,15-dihydro-14-hydroxy-, methyl ester, (3«alpha»,14«alpha»,16«alpha»)-. TCN.

Find more compounds similar to Doxepin M(Nor-HO), diacetylated, isomer # 2.

Sources

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