Chemical Properties of Glutaric acid, N-(1,2,3,4-tetrahydronaphth-1-yl)-, hexyl ester

Glutaric acid, N-(1,2,3,4-tetrahydronaphth-1-yl)-, hexyl ester

InChI
InChI=1S/C21H31NO3/c1-2-3-4-7-16-25-21(24)15-9-14-20(23)22-19-13-8-11-17-10-5-6-12-18(17)19/h5-6,10,12,19H,2-4,7-9,11,13-16H2,1H3,(H,22,23)
InChI Key
FXOCLNOECOSQTI-UHFFFAOYSA-N
Formula
C21H31NO3
SMILES
CCCCCCOC(=O)CCCC(=O)NC1CCCc2ccccc21
Molecular Weight1
345.48
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Physical Properties

Property Value Unit Source
ΔfusH° 50.90 kJ/mol Joback Calculated Property
ΔvapH° 117.51 kJ/mol Relay (1.0) Calculated Property
log10WS -4.54 Relay (1.0) Calculated Property
logPoct/wat 4.474 Crippen Calculated Property
McVol 291.120 ml/mol McGowan Calculated Property
Inp [2855.00; 2855.00]   Show Hide
Inp 2855.00 NIST
Inp 2855.00 NIST
Tboil 672.80 K Relay (1.0) Calculated Property
Tfus 346.71 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation 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 [401.38; 996.71] 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 A-5.96120e+01
Coefficient B1.99512e+00
Coefficient C-1.19186e-03
Coefficient D2.53060e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 401.38 J/mol×K 273.00 Calculated Property
Cp,gas 508.25 J/mol×K 353.78 Calculated Property
Cp,gas 603.08 J/mol×K 434.56 Calculated Property
Cp,gas 686.65 J/mol×K 515.33 Calculated Property
Cp,gas 759.78 J/mol×K 596.11 Calculated Property
Cp,gas 823.26 J/mol×K 676.89 Calculated Property
Cp,gas 877.89 J/mol×K 757.67 Calculated Property
Cp,gas 924.48 J/mol×K 838.44 Calculated Property
Cp,gas 963.82 J/mol×K 919.22 Calculated Property
Cp,gas 996.71 J/mol×K 1000.00 Calculated Property

Similar Compounds

Glutaric acid monoamide, N-(1,2,3,4-tetrahydronaphth-1-yl)-, decyl ester. Glutaric acid, N-(1,2,3,4-tetrahydronaphth-1-yl)-, undecyl ester. Glutaric acid, N-(1,2,3,4-tetrahydronaphth-1-yl)-, nonyl ester. Glutaric acid monoamide, N-(1,2,3,4-tetrahydronaphth-1-yl)-, dodecyl ester. Glutaric acid, N-(1,2,3,4-tetrahydronaphth-1-yl)-, octyl ester. Glutaric acid, N-(1,2,3,4-tetrahydronaphth-1-yl)-, heptyl ester. Glutaric acid monoamide, N-(1,2,3,4-tetrahydronaphth-1-yl)-, pentyl ester. Glutaric acid monoamide, N-(1,2,3,4-tetrahydronaphth-1-yl)-, isohexyl ester. Glutaric acid, N-(1,2,3,4-tetrahydronaphth-1-yl)-, propyl ester. Glutaric acid monoamide, N-(1,2,3,4-tetrahydronaphth-1-yl)-, butyl ester. Glutaric acid monoamide, N-(1,2,3,4-tetrahydronaphth-1-yl)-, isobutyl ester. Glutaric acid, N-(1,2,3,4-tetrahydronaphth-1-yl)-, ethyl ester. Morphinan-6-ol, 4,5-epoxy-3-methoxy-17-methyl-, (5«alpha»,6«alpha»)-. Acetyldihydrocodeine. Thymidine, 3'-O-acetyl, 5'-O-TBDMS.

Find more compounds similar to Glutaric acid, N-(1,2,3,4-tetrahydronaphth-1-yl)-, hexyl ester.

Sources

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