Chemical Properties of Doxepin M(Nor-HO), diacetylated, isomer # 1

Doxepin M(Nor-HO), diacetylated, isomer # 1

InChI
InChI=1S/C22H23NO4/c1-15(24)23(3)13-7-11-19-18-9-5-4-8-17(18)14-26-22-20(19)10-6-12-21(22)27-16(2)25/h4-6,8-12H,7,13-14H2,1-3H3/b19-11-
InChI Key
KTFIZIRUAOKHNH-ODLFYWEKSA-N
Formula
C22H23NO4
SMILES
CC(=O)Oc1cccc2c1OCc1ccccc1C2=CCCN(C)C(C)=O
Molecular Weight1
365.42
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Physical Properties

Property Value Unit Source
ω 0.8521 Relay (1.0) Calculated Property
ΔfG° 106.03 kJ/mol Joback Calculated Property
ΔfH°gas -464.40 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 52.42 kJ/mol Joback Calculated Property
ΔvapH° 127.07 kJ/mol Relay (1.0) Calculated Property
IE 7.72 eV Relay (1.0) Calculated Property
log10WS -3.62 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 2987.00 NIST
Tboil 714.18 K Relay (1.0) Calculated Property
Tc 997.67 K Relay (1.0) Calculated Property
Tfus 408.48 K Relay (1.0) Calculated Property
Vc 1.016 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(HO), acetylated, isomer # 1. Doxepin M(Nor-HO), diacetylated, isomer # 2. Doxepin M(HO), acetylated, isomer # 2. 5-(3-Acetyl(methyl)aminopropylidene)-10-oxa-10,11-dihydro-5H-dibenzo[a,d]cycloheptene. 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. ethylmorphine, propionic ester. uridine-2'(3')-monophosphate, TMS. Ergocristine. Codeine-propionyl. Ajmaline. Galantamin.

Find more compounds similar to Doxepin M(Nor-HO), diacetylated, isomer # 1.

Sources

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