Chemical Properties of Fumaric acid, monoamide, N-methyl-N-phenyl-, 2-ethylhexyl ester

Fumaric acid, monoamide, N-methyl-N-phenyl-, 2-ethylhexyl ester

InChI
InChI=1S/C19H27NO3/c1-4-6-10-16(5-2)15-23-19(22)14-13-18(21)20(3)17-11-8-7-9-12-17/h7-9,11-14,16H,4-6,10,15H2,1-3H3/b14-13+
InChI Key
XSYLUJMUMHTSKN-BUHFOSPRSA-N
Formula
C19H27NO3
SMILES
CCCCC(CC)COC(=O)C=CC(=O)N(C)c1ccccc1
Molecular Weight1
317.42
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Physical Properties

Property Value Unit Source
ΔfusH° 44.67 kJ/mol Joback Calculated Property
log10WS -4.71 Relay (1.0) Calculated Property
logPoct/wat 3.965 Crippen Calculated Property
McVol 269.500 ml/mol McGowan Calculated Property
Pc 1496.51 kPa Joback Calculated Property
Inp [2497.00; 2497.00]   Show Hide
Inp 2497.00 NIST
Inp 2497.00 NIST
Tboil 631.93 K Relay (1.0) Calculated Property
Tfus 293.25 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 [801.08; 883.53] J/mol×K [789.25; 991.86] Show Hide
Cp,gas 801.08 J/mol×K 789.25 Joback Calculated Property
Cp,gas 817.41 J/mol×K 823.02 Joback Calculated Property
Cp,gas 832.63 J/mol×K 856.79 Joback Calculated Property
Cp,gas 846.79 J/mol×K 890.56 Joback Calculated Property
Cp,gas 859.95 J/mol×K 924.33 Joback Calculated Property
Cp,gas 872.18 J/mol×K 958.10 Joback Calculated Property
Cp,gas 883.53 J/mol×K 991.86 Joback Calculated Property

Similar Compounds

Fumaric acid, monoamide, N-methyl-N-phenyl-, 2-pentyl ester. Fumaric acid, monoamide, N-(2-bromophenyl)-, 2-ethylhexyl ester. Fumaric acid, monoamide, N-(4-chlorophenyl)-, 2-ethylhexyl ester. Fumaric acid, monoamide, N-(2-fluorophenyl)-, 2-ethylhexyl ester. Fumaric acid, monoamide, N-(2-ethylphenyl)-, 2-ethylhexyl ester. Tetrazepam M (hydroxy-), isomer 1, hydrolysis, acetylated. Quebrachamine. Floridanine (otonecine-acetyljacoline). Aconitine. Tetrazepam M (hydroxy-), isomer 2, hydrolysis, acetylated. Poligodial + p-Tyr (ethyl ester) adduct (S). Poligodial + p-Tyr (ethyl ester) adduct (S), acetylated, # 2. Poligodial + o-Tyr (ethyl ester) adduct (R,S). Poligodial + p-Tyr (ethyl ester) adduct (S), acetylated, # 1. Fumaric acid, monoamide, N-methyl-N-phenyl-, neopentyl ester.

Find more compounds similar to Fumaric acid, monoamide, N-methyl-N-phenyl-, 2-ethylhexyl ester.

Sources

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