Chemical Properties of Fumaric acid, monoamide, N-(3,4-dimethoxyphenethyl)-, 2-ethylhexyl ester

Fumaric acid, monoamide, N-(3,4-dimethoxyphenethyl)-, 2-ethylhexyl ester

InChI
InChI=1S/C22H33NO5/c1-5-7-8-17(6-2)16-28-22(25)12-11-21(24)23-14-13-18-9-10-19(26-3)20(15-18)27-4/h9-12,15,17H,5-8,13-14,16H2,1-4H3,(H,23,24)/b12-11+
InChI Key
FYFOFPIFRFAAMA-VAWYXSNFSA-N
Formula
C22H33NO5
SMILES
CCCCC(CC)COC(=O)C=CC(=O)NCCc1ccc(OC)c(OC)c1
Molecular Weight1
391.50
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Physical Properties

Property Value Unit Source
ΔfusH° 56.12 kJ/mol Joback Calculated Property
log10WS -4.89 Relay (1.0) Calculated Property
logPoct/wat 3.678 Crippen Calculated Property
McVol 323.510 ml/mol McGowan Calculated Property
Pc 1171.22 kPa Joback Calculated Property
Inp [3274.00; 3274.00]   Show Hide
Inp 3274.00 NIST
Inp 3274.00 NIST
Tboil 683.15 K Relay (1.0) Calculated Property
Tfus 339.53 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [1050.90; 1117.73] J/mol×K [950.42; 1165.32] Show Hide
Cp,gas 1050.90 J/mol×K 950.42 Joback Calculated Property
Cp,gas 1065.47 J/mol×K 986.24 Joback Calculated Property
Cp,gas 1078.63 J/mol×K 1022.05 Joback Calculated Property
Cp,gas 1090.41 J/mol×K 1057.87 Joback Calculated Property
Cp,gas 1100.83 J/mol×K 1093.69 Joback Calculated Property
Cp,gas 1109.93 J/mol×K 1129.50 Joback Calculated Property
Cp,gas 1117.73 J/mol×K 1165.32 Joback Calculated Property

Similar Compounds

Fumaric acid, monoamide, N-(3,4-dimethoxyphenethyl)-, 2-pentyl ester. Fumaric acid, monoamide, N-(3,4-dimethoxyphenethyl)-, neopentyl ester. 5-Hydroxytryptophan, methyl, 3-PFP. Norhydrocodone. Morphinan-6-one, 4,5-epoxy-14-hydroxy-3-methoxy-, (5«alpha»)-. Oxycodone. 1-Alpha-2-methyl-8-methoxy-6,7-methylenedioxy-1-(6,7-dimethoxy-3-phthalidyl)-1,2,3,4-tetrahydroisoquinoline. 5,6-Dihydrouracil riboside, TMS. Nalbuphine, O,O,O-tris(trimethylsilyl) deriv.. Naltrexone. Moexipril Me. 2'-Deoxyadenosine, 3',5',N6-tris(O-TMTBSi). N6-(cyclotetramethylene-tertbutylsilyl)-2'-Deoxyadenosine, 3',5'-bis-O-TBDMS. Hydrastine. Hydromorphone.

Find more compounds similar to Fumaric acid, monoamide, N-(3,4-dimethoxyphenethyl)-, 2-ethylhexyl ester.

Sources

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