Chemical Properties of Succinic acid, tridec-2-yn-1-yl 2-naphthyl ester

Succinic acid, tridec-2-yn-1-yl 2-naphthyl ester

InChI
InChI=1S/C27H34O4/c1-2-3-4-5-6-7-8-9-10-11-14-21-30-26(28)19-20-27(29)31-25-18-17-23-15-12-13-16-24(23)22-25/h12-13,15-18,22H,2-10,19-21H2,1H3
InChI Key
DXNUIJNUJXTUDK-UHFFFAOYSA-N
Formula
C27H34O4
SMILES
CCCCCCCCCCC#CCOC(=O)CCC(=O)Oc1ccc2ccccc2c1
Molecular Weight1
422.56
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Physical Properties

Property Value Unit Source
ΔfusH° 68.22 kJ/mol Joback Calculated Property
logPoct/wat 6.603 Crippen Calculated Property
McVol 354.350 ml/mol McGowan Calculated Property
Inp [3473.00; 3473.00]   Show Hide
Inp 3473.00 NIST
Inp 3473.00 NIST
Tboil 722.41 K Relay (1.0) Calculated Property
Tfus 340.11 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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 [498.33; 1155.03] 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-4.32800e+00
Coefficient B2.16732e+00
Coefficient C-1.26454e-03
Coefficient D2.56580e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 498.33 J/mol×K 273.00 Calculated Property
Cp,gas 615.51 J/mol×K 353.78 Calculated Property
Cp,gas 719.75 J/mol×K 434.56 Calculated Property
Cp,gas 811.86 J/mol×K 515.33 Calculated Property
Cp,gas 892.63 J/mol×K 596.11 Calculated Property
Cp,gas 962.90 J/mol×K 676.89 Calculated Property
Cp,gas 1023.46 J/mol×K 757.67 Calculated Property
Cp,gas 1075.12 J/mol×K 838.44 Calculated Property
Cp,gas 1118.71 J/mol×K 919.22 Calculated Property
Cp,gas 1155.03 J/mol×K 1000.00 Calculated Property

Similar Compounds

Succinic acid, tridec-2-yn-1-yl 3-methoxyphenyl ester. Succinic acid, tridec-2-yn-1-yl 3-chlorophenyl ester. Succinic acid, tridec-2-yn-1-yl 2-chlorophenyl ester. Succinic acid, tridec-2-yn-1-yl 3-fluorophenyl ester. Succinic acid, tridec-2-yn-1-yl 2-fluorophenyl ester. Glutaric acid, tridec-2-yn-1-yl 4-bromophenyl ester. Succinic acid, tridec-2-yn-1-yl 4-chloro-2-methoxyphenyl ester. Glutaric acid, tridec-2-yn-1-yl 2,4-dichlorophenyl ester. Glutaric acid, tridec-2-yn-1-yl 3-fluorophenyl ester. Succinic acid, tridec-2-yn-1-yl 2,4,5-trichlorophenyl ester. Succinic acid, hex-4-yn-3-yl 2-naphthyl ester. Succinic acid, hept-2-yl 2-naphthyl ester. Succinic acid, dec-2-yl 2-naphthyl ester. Glutaric acid, tridec-2-yn-1-yl 4-chloro-2-methoxyphenyl ester. Glutaric acid, tridec-2-yn-1-yl 2-isopropoxyphenyl ester.

Find more compounds similar to Succinic acid, tridec-2-yn-1-yl 2-naphthyl ester.

Sources

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