Chemical Properties of 2-Heptenoic acid, hex-4-yn-3-yl ester

2-Heptenoic acid, hex-4-yn-3-yl ester

InChI
InChI=1S/C13H20O2/c1-4-7-8-9-11-13(14)15-12(6-3)10-5-2/h9,11-12H,4,6-8H2,1-3H3/b11-9+
InChI Key
KSIGYFRZAHVJIL-PKNBQFBNSA-N
Formula
C13H20O2
SMILES
CC#CC(CC)OC(=O)/C=C/CCCC
Molecular Weight1
208.30
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Physical Properties

Property Value Unit Source
ΔfusH° 33.60 kJ/mol Joback Calculated Property
logPoct/wat 3.078 Crippen Calculated Property
McVol 188.570 ml/mol McGowan Calculated Property
Inp [1800.00; 1800.00]   Show Hide
Inp 1800.00 NIST
Inp 1800.00 NIST
Tboil 493.64 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, 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 [266.38; 606.95] 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 A1.81740e+01
Coefficient B1.06016e+00
Coefficient C-5.83660e-04
Coefficient D1.12280e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 266.38 J/mol×K 273.00 Calculated Property
Cp,gas 325.16 J/mol×K 353.78 Calculated Property
Cp,gas 377.87 J/mol×K 434.56 Calculated Property
Cp,gas 424.87 J/mol×K 515.33 Calculated Property
Cp,gas 466.53 J/mol×K 596.11 Calculated Property
Cp,gas 503.19 J/mol×K 676.89 Calculated Property
Cp,gas 535.20 J/mol×K 757.67 Calculated Property
Cp,gas 562.93 J/mol×K 838.44 Calculated Property
Cp,gas 586.73 J/mol×K 919.22 Calculated Property
Cp,gas 606.95 J/mol×K 1000.00 Calculated Property

Similar Compounds

Oct-3-enoic acid, hex-4-yn-3-yl ester. 2-Heptenoic acid, 2-methyloct-5-yn-4-yl ester. 2-Heptenoic acid, 2,7-dimethyloct-1-en-3-yn-5-yl ester. 2-Heptenoic acid, but-3-yn-2-yl ester. Succinic acid, hex-4-yn-3-yl tetradec-3-en-1-yl ester. 2-Heptenoic acid, 4-methyl-2-pentyl ester. 6-Ethyl-5,6-dihydro-2H-pyran-2-one. Oct-3-enoic acid, 2-methyloct-5-yn-4-yl ester. Tuberolactone. Glutaric acid, oct-1-en-3-yl hex-4-yn-3-yl ester. 2-Heptenoic acid, tridec-2-yn-1-yl ester. Glutaric acid, hex-4-yn-3-yl cis-hex-3-enyl ester. Glutaric acid, hexa-1,5-dien-3-yl hex-4-yn-3-yl ester. Fumaric acid, 2-octyl hex-4-yn-3-yl ester. Fumaric acid, 2-octyl dodec-2-en-1-yl ester.

Find more compounds similar to 2-Heptenoic acid, hex-4-yn-3-yl ester.

Sources

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