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

Fumaric acid, monoamide, N-methallyl-, 2-ethylhexyl ester

InChI
InChI=1S/C16H27NO3/c1-5-7-8-14(6-2)12-20-16(19)10-9-15(18)17-11-13(3)4/h9-10,14H,3,5-8,11-12H2,1-2,4H3,(H,17,18)/b10-9+
InChI Key
DPVRYKFGINGCPJ-MDZDMXLPSA-N
Formula
C16H27NO3
SMILES
C=C(C)CNC(=O)C=CC(=O)OCC(CC)CCCC
Molecular Weight1
281.39
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Physical Properties

Property Value Unit Source
ΔfusH° 42.35 kJ/mol Joback Calculated Property
log10WS -4.36 Relay (1.0) Calculated Property
logPoct/wat 2.994 Crippen Calculated Property
McVol 246.690 ml/mol McGowan Calculated Property
Pc 1518.75 kPa Joback Calculated Property
Inp 2244.00 NIST
Tboil 599.84 K Relay (1.0) Calculated Property
Tfus 287.99 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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [354.37; 819.98] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A1.35600e+00
Coefficient B1.52306e+00
Coefficient C-8.94100e-04
Coefficient D1.89660e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 354.37 J/mol×K 273.00 Calculated Property
Cp,gas 436.67 J/mol×K 353.78 Calculated Property
Cp,gas 509.93 J/mol×K 434.56 Calculated Property
Cp,gas 574.75 J/mol×K 515.33 Calculated Property
Cp,gas 631.73 J/mol×K 596.11 Calculated Property
Cp,gas 681.46 J/mol×K 676.89 Calculated Property
Cp,gas 724.55 J/mol×K 757.67 Calculated Property
Cp,gas 761.60 J/mol×K 838.44 Calculated Property
Cp,gas 793.21 J/mol×K 919.22 Calculated Property
Cp,gas 819.98 J/mol×K 1000.00 Calculated Property

Similar Compounds

Fumaric acid, monoamide, N-(3,4-dimethoxyphenethyl)-, 2-ethylhexyl ester. [(1R,8R)-7-(Hydroxymethyl)-2,3,5,8-tetrahydro-1H-pyrrolizin-1-yl] (E)-4-hydroxy-3-methyl-but-2-enoate. 1«beta»-Acetoxyfuranoeudesm-4(15)-ene. Desacetyldoronine. Inosine, 2',3',5'-tribenzoate. 2'-Deoxyadenosine, 3'-O-TBDMS, 5'-O-acetyl. 2'-Deoxyadenosine, 3'-O-acetyl, 5'-O-TBDMS. 2',3'-Di-O-acetyladenosine, trimethylsilyl ether. Supinine, diTMS. [(1R)-7-(Hydroxymethyl)-2,3,5,8-tetrahydro-1H-pyrrolizin-1-yl] hexanoate. ETHYL 2-(METHYLAMINO)-1-PHENYL-3-CYCLOHEXENE-1-CARBOXYLATE. Valine-glutamine-tryptophan-leucine, N(«alpha»,«epsilon»)-trifluoroacetyl-N-O-permethyl derivative. 5-Hydroxytryptophan, methyl, 3-PFP. N6-acetyl-2'-Deoxyadenosine, 3'-O-TBDMS, 5'-O-acetyl. «alpha»-Pseudouridine, TMS.

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

Sources

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