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

Phenylacetic acid, 2-methyloct-5-yn-4-yl ester

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InChI
InChI=1S/C17H22O2/c1-4-5-11-16(12-14(2)3)19-17(18)13-15-9-7-6-8-10-15/h6-10,14,16H,4,12-13H2,1-3H3
InChI Key
OPDLFTTWEXFJKN-UHFFFAOYSA-N
Formula
C17H22O2
SMILES
CCC#CC(CC(C)C)OC(=O)Cc1ccccc1
Molecular Weight1
258.36
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Physical Properties

Property Value Unit Source
Δf 168.67 kJ/mol Joback Calculated Property
Δfgas -140.74 kJ/mol Joback Calculated Property
Δfus 32.69 kJ/mol Joback Calculated Property
Δvap 66.24 kJ/mol Joback Calculated Property
log10WS -4.57 Crippen Calculated Property
logPoct/wat 3.600 Crippen Calculated Property
McVol 225.470 ml/mol McGowan Calculated Property
Pc 1895.30 kPa Joback Calculated Property
Inp [1780.40; 1780.40]   Show Hide
Inp 1780.40 NIST
Inp 1780.40 NIST
Tboil 699.45 K Joback Calculated Property
Tc 919.33 K Joback Calculated Property
Tfus 456.03 K Joback Calculated Property
Vc 0.854 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [611.47; 701.40] J/mol×K [699.45; 919.33] Show Hide
Cp,gas 611.47 J/mol×K 699.45 Joback Calculated Property
Cp,gas 629.21 J/mol×K 736.10 Joback Calculated Property
Cp,gas 645.79 J/mol×K 772.74 Joback Calculated Property
Cp,gas 661.26 J/mol×K 809.39 Joback Calculated Property
Cp,gas 675.67 J/mol×K 846.04 Joback Calculated Property
Cp,gas 689.03 J/mol×K 882.68 Joback Calculated Property
Cp,gas 701.40 J/mol×K 919.33 Joback Calculated Property

Similar Compounds

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

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

Sources

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