Chemical Properties of Glutaric acid, decyl hex-4-yn-3-yl ester

Glutaric acid, decyl hex-4-yn-3-yl ester

InChI
InChI=1S/C21H36O4/c1-4-7-8-9-10-11-12-13-18-24-20(22)16-14-17-21(23)25-19(6-3)15-5-2/h19H,4,6-14,16-18H2,1-3H3
InChI Key
NWTDHQAZOHTYIZ-UHFFFAOYSA-N
Formula
C21H36O4
SMILES
CC#CC(CC)OC(=O)CCCC(=O)OCCCCCCCCCC
Molecular Weight1
352.51
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Physical Properties

Property Value Unit Source
ΔfH°gas -820.39 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 58.48 kJ/mol Joback Calculated Property
ΔvapH° 100.23 kJ/mol Relay (1.0) Calculated Property
log10WS -5.32 Relay (1.0) Calculated Property
logPoct/wat 5.186 Crippen Calculated Property
McVol 313.030 ml/mol McGowan Calculated Property
Pc 1070.76 kPa Joback Calculated Property
Inp 2457.00 NIST
Tboil 611.76 K Relay (1.0) Calculated Property
Tc 803.12 K Relay (1.0) Calculated Property
Tfus 294.84 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, 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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [964.64; 1055.74] J/mol×K [805.08; 993.02] Show Hide
Cp,gas 964.64 J/mol×K 805.08 Joback Calculated Property
Cp,gas 982.61 J/mol×K 836.40 Joback Calculated Property
Cp,gas 999.45 J/mol×K 867.73 Joback Calculated Property
Cp,gas 1015.16 J/mol×K 899.05 Joback Calculated Property
Cp,gas 1029.76 J/mol×K 930.37 Joback Calculated Property
Cp,gas 1043.29 J/mol×K 961.70 Joback Calculated Property
Cp,gas 1055.74 J/mol×K 993.02 Joback Calculated Property

Similar Compounds

Glutaric acid, heptadecyl hex-4-yn-3-yl ester. Glutaric acid, hex-4-yn-3-yl octyl ester. Glutaric acid, hex-4-yn-3-yl octadecyl ester. Glutaric acid, hex-4-yn-3-yl hexadecyl ester. Glutaric acid, hex-4-yn-3-yl undecyl ester. Glutaric acid, hex-4-yn-3-yl tridecyl ester. Glutaric acid, hex-4-yn-3-yl tetradecyl ester. Glutaric acid, hex-4-yn-3-yl pentadecyl ester. Glutaric acid, hex-4-yn-3-yl nonyl ester. Glutaric acid, dodecyl hex-4-yn-3-yl ester. Glutaric acid, heptyl hex-4-yn-3-yl ester. Glutaric acid, hex-4-yn-3-yl hexyl ester. Sebacic acid, hexyl hex-4-yn-3-yl ester. Sebacic acid, hex-4-yn-3-yl tetradecyl ester. Sebacic acid, hex-4-yn-3-yl pentadecyl ester.

Find more compounds similar to Glutaric acid, decyl hex-4-yn-3-yl ester.

Sources

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