Chemical Properties of Phenylacetic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester

Phenylacetic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester

InChI
InChI=1S/C18H22O2/c1-14(2)10-11-17(12-15(3)4)20-18(19)13-16-8-6-5-7-9-16/h5-9,15,17H,1,12-13H2,2-4H3
InChI Key
KUQMVCQVSLJQDB-UHFFFAOYSA-N
Formula
C18H22O2
SMILES
C=C(C)C#CC(CC(C)C)OC(=O)Cc1ccccc1
Molecular Weight1
270.37
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Physical Properties

Property Value Unit Source
ω 0.5475 Relay (1.0) Calculated Property
ΔfG° 256.38 kJ/mol Joback Calculated Property
ΔfH°gas -108.49 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 32.69 kJ/mol Joback Calculated Property
ΔvapH° 84.24 kJ/mol Relay (1.0) Calculated Property
IE 8.38 eV Relay (1.0) Calculated Property
log10WS -4.49 Relay (1.0) Calculated Property
logPoct/wat 3.766 Crippen Calculated Property
McVol 235.260 ml/mol McGowan Calculated Property
Pc 1816.95 kPa Joback Calculated Property
Inp 1826.30 NIST
Tboil 568.50 K Relay (1.0) Calculated Property
Tc 794.92 K Relay (1.0) Calculated Property
Tfus 283.81 K Relay (1.0) Calculated Property
Vc 0.822 m3/kmol Relay (1.0) Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [641.70; 731.06] J/mol×K [718.89; 942.50] Show Hide
Cp,gas 641.70 J/mol×K 718.89 Joback Calculated Property
Cp,gas 659.40 J/mol×K 756.16 Joback Calculated Property
Cp,gas 675.92 J/mol×K 793.43 Joback Calculated Property
Cp,gas 691.29 J/mol×K 830.69 Joback Calculated Property
Cp,gas 705.57 J/mol×K 867.96 Joback Calculated Property
Cp,gas 718.81 J/mol×K 905.23 Joback Calculated Property
Cp,gas 731.06 J/mol×K 942.50 Joback Calculated Property

Similar Compounds

Benzeneacetic acid, 4-chloro-, 2,7-dimethyloct-1-en-3-yn-5-yl ester. Phenylacetic acid, 2-methyloct-5-yn-4-yl ester. Benzeneacetic acid, 4-nitro-, 2,7-dimethyloct-1-en-3-yn-5-yl ester. Phenylacetic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. Benzeneacetic acid, 4-chloro-, 2-methyloct-5-yn-4-yl ester. Hydratropic acid, 2,7-dimethyloct-1-en-3-yn-5-yl ester. Benzeneacetic acid, 4-nitro-, 2-methyloct-5-yn-4-yl ester. Butyric acid, 2-phenyl-, 2,7-dimethyloct-1-en-3-yn-5-yl ester. Hydratropic acid, 2-methyloct-5-yn-4-yl ester. 3-Phenylpropionic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. Butyric acid, 4-phenyl-, 2,7-dimethyloct-1-en-3-yn-5-yl ester. Butyric acid, 2-phenyl-, 2-methyloct-5-yn-4-yl ester. 2-Thiopheneacetic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. 3-Phenylpropionic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. 4-Butylbenzoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester.

Find more compounds similar to Phenylacetic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester.

Sources

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