Chemical Properties of Undec-10-ynoic acid, hex-4-yn-3-yl ester

Undec-10-ynoic acid, hex-4-yn-3-yl ester

InChI
InChI=1S/C17H26O2/c1-4-7-8-9-10-11-12-13-15-17(18)19-16(6-3)14-5-2/h1,16H,6-13,15H2,2-3H3
InChI Key
YMISBVOGWGPTQT-UHFFFAOYSA-N
Formula
C17H26O2
SMILES
C#CCCCCCCCCC(=O)OC(C#CC)CC
Molecular Weight1
262.39
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Physical Properties

Property Value Unit Source
ΔfusH° 46.73 kJ/mol Joback Calculated Property
logPoct/wat 4.085 Crippen Calculated Property
McVol 240.630 ml/mol McGowan Calculated Property
Inp [1876.00; 1876.00]   Show Hide
Inp 1876.00 NIST
Inp 1876.00 NIST
Tfus 300.96 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, 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 [354.06; 786.22] 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 A4.24990e+01
Coefficient B1.32624e+00
Coefficient C-7.13390e-04
Coefficient D1.30870e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 354.06 J/mol×K 273.00 Calculated Property
Cp,gas 428.20 J/mol×K 353.78 Calculated Property
Cp,gas 494.85 J/mol×K 434.56 Calculated Property
Cp,gas 554.41 J/mol×K 515.33 Calculated Property
Cp,gas 607.31 J/mol×K 596.11 Calculated Property
Cp,gas 653.94 J/mol×K 676.89 Calculated Property
Cp,gas 694.74 J/mol×K 757.67 Calculated Property
Cp,gas 730.11 J/mol×K 838.44 Calculated Property
Cp,gas 760.46 J/mol×K 919.22 Calculated Property
Cp,gas 786.22 J/mol×K 1000.00 Calculated Property

Similar Compounds

Sebacic acid, di(hex-4-yn-3-yl) ester. Octanoic acid, hex-4-yn-3-yl ester. Hexanoic acid, hex-4-yn-3-yl ester. Sebacic acid, hex-4-yn-3-yl propyl ester. valeric acid, hex-4-yn-3-yl ester. Sebacic acid, butyl hex-4-yn-3-yl ester. Sebacic acid, hex-4-yn-3-yl isobutyl ester. Sebacic acid, hex-4-yn-3-yl octyl ester. Sebacic acid, hex-4-yn-3-yl undecyl ester. Sebacic acid, hex-4-yn-3-yl nonyl ester. Sebacic acid, hex-4-yn-3-yl pentadecyl ester. Sebacic acid, hex-4-yn-3-yl tridecyl ester. Sebacic acid, heptyl hex-4-yn-3-yl ester. Sebacic acid, decyl hex-4-yn-3-yl ester. Sebacic acid, hex-4-yn-3-yl tetradecyl ester.

Find more compounds similar to Undec-10-ynoic acid, hex-4-yn-3-yl ester.

Sources

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