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

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

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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
ΔfG° 106.03 kJ/mol Joback Calculated Property
ΔfH°gas -311.44 kJ/mol Joback Calculated Property
ΔfusH° 52.42 kJ/mol Joback Calculated Property
ΔvapH° 94.57 kJ/mol Joback Calculated Property
log10WS -5.24 Crippen 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 958.66 K Joback Calculated Property
Tc 1193.60 K Joback Calculated Property
Tfus 641.77 K Joback Calculated Property
Vc 1.062 m3/kmol Joback 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. azadirachtin. Bicyclohexyl-1,1'-diol, , 2-(N,N-dimethylaminomethyl)-ferroceneboronate. Moexipril desethyl 3Me (Moexprilate 3Me). Vobassan-17-oic acid, 4-demethyl-3-oxo-, methyl ester. Moexipril Me. Moexipril desethyl - H2O Me (Moexprilate - H2O Me). Aflatoxin G1. Etorphine. QUINIDINE, M(HO-), AC. 9H-Purine, 9-[2-deoxy-3-O-(trimethylsilyl)-«beta»-D-erythro-pentofuranosyl]-6-(trimethylsiloxy)-2-[(trimethylsilyl)amino]-, 5'-[bis(trimethylsilyl) phospate].

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

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