Chemical Properties of Butyric acid, 4-phenyl-, 2-methyloct-5-yn-4-yl ester

Butyric acid, 4-phenyl-, 2-methyloct-5-yn-4-yl ester

InChI
InChI=1S/C19H26O2/c1-4-5-13-18(15-16(2)3)21-19(20)14-9-12-17-10-7-6-8-11-17/h6-8,10-11,16,18H,4,9,12,14-15H2,1-3H3
InChI Key
RBVDGQJDPPXOLD-UHFFFAOYSA-N
Formula
C19H26O2
SMILES
CCC#CC(CC(C)C)OC(=O)CCCc1ccccc1
Molecular Weight1
286.41
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Physical Properties

Property Value Unit Source
ΔfusH° 39.45 kJ/mol Joback Calculated Property
IE 8.67 eV Relay (1.0) Calculated Property
log10WS -4.95 Relay (1.0) Calculated Property
logPoct/wat 4.381 Crippen Calculated Property
McVol 253.650 ml/mol McGowan Calculated Property
Pc 1562.28 kPa Joback Calculated Property
Inp [2026.00; 2026.00]   Show Hide
Inp 2026.00 NIST
Inp 2026.00 NIST
Tboil 587.72 K Relay (1.0) Calculated Property
Tfus 268.70 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor 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 [716.10; 809.38] J/mol×K [727.34; 939.02] Show Hide
Cp,gas 716.10 J/mol×K 727.34 Joback Calculated Property
Cp,gas 734.57 J/mol×K 762.62 Joback Calculated Property
Cp,gas 751.81 J/mol×K 797.90 Joback Calculated Property
Cp,gas 767.87 J/mol×K 833.18 Joback Calculated Property
Cp,gas 782.79 J/mol×K 868.46 Joback Calculated Property
Cp,gas 796.61 J/mol×K 903.74 Joback Calculated Property
Cp,gas 809.38 J/mol×K 939.02 Joback Calculated Property

Similar Compounds

Butyric acid, 4-phenyl-, 2,7-dimethyloct-1-en-3-yn-5-yl ester. Butyric acid, 4-phenyl-, 4-methyl-2-pentyl ester. 3-Phenylpropionic acid, 2-methyloct-5-yn-4-yl ester. Butyric acid, 4-phenyl-, hex-4-yn-3-yl ester. 4-Oxo-4-phenylbutyric acid, 2-methyloct-5-yn-4-yl ester. 5-Phenylvaleric acid, 4-methyl-2-pentyl ester. Butyric acid, 2-phenyl-, 2-methyloct-5-yn-4-yl ester. 3-Phenylpropionic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. 2-Pentanol, 4-methyl-1-phenyl, acetate. Cyclopropanecarboxylic acid, trans-2-phenyl-, 2-methyloct-5-en-4-yl ester. 4-butylbenzoic acid, 2-methyloct-5-yn-4-yl ester. Hydratropic acid, 2-methyloct-5-yn-4-yl ester. 5-Phenylvaleric acid, pent-2-yl ester. Butyric acid, 4-phenyl-, tridec-2-yn-1-yl ester. Butyric acid, 2-phenyl-, 2,7-dimethyloct-1-en-3-yn-5-yl ester.

Find more compounds similar to Butyric acid, 4-phenyl-, 2-methyloct-5-yn-4-yl ester.

Sources

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