Chemical Properties of Butyric acid, 4-phenyl-, 2,7-dimethyloct-1-en-3-yn-5-yl ester

Butyric acid, 4-phenyl-, 2,7-dimethyloct-1-en-3-yn-5-yl ester

InChI
InChI=1S/C20H26O2/c1-16(2)13-14-19(15-17(3)4)22-20(21)12-8-11-18-9-6-5-7-10-18/h5-7,9-10,17,19H,1,8,11-12,15H2,2-4H3
InChI Key
SOXCAWAEMHJKAV-UHFFFAOYSA-N
Formula
C20H26O2
SMILES
C=C(C)C#CC(CC(C)C)OC(=O)CCCc1ccccc1
Molecular Weight1
298.43
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Physical Properties

Property Value Unit Source
ΔfusH° 39.45 kJ/mol Joback Calculated Property
IE 8.47 eV Relay (1.0) Calculated Property
logPoct/wat 4.547 Crippen Calculated Property
McVol 263.440 ml/mol McGowan Calculated Property
Inp [2075.00; 2075.00]   Show Hide
Inp 2075.00 NIST
Inp 2075.00 NIST

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Correlations

Property Value Unit Temperature (K) Source
Cp,gas [361.65; 851.90] 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 A-1.22760e+01
Coefficient B1.61206e+00
Coefficient C-9.40260e-04
Coefficient D1.92380e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 361.65 J/mol×K 273.00 Calculated Property
Cp,gas 448.87 J/mol×K 353.78 Calculated Property
Cp,gas 526.48 J/mol×K 434.56 Calculated Property
Cp,gas 595.10 J/mol×K 515.33 Calculated Property
Cp,gas 655.32 J/mol×K 596.11 Calculated Property
Cp,gas 707.77 J/mol×K 676.89 Calculated Property
Cp,gas 753.04 J/mol×K 757.67 Calculated Property
Cp,gas 791.75 J/mol×K 838.44 Calculated Property
Cp,gas 824.50 J/mol×K 919.22 Calculated Property
Cp,gas 851.90 J/mol×K 1000.00 Calculated Property

Similar Compounds

Butyric acid, 4-phenyl-, 2-methyloct-5-yn-4-yl ester. 3-Phenylpropionic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. Butyric acid, 2-phenyl-, 2,7-dimethyloct-1-en-3-yn-5-yl ester. 3-Phenylpropionic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. Cyclopropanecarboxylic acid, trans-2-phenyl-, 2,7-dimethyloct-1-en-3-yn-5-yl ester. Hydratropic acid, 2,7-dimethyloct-1-en-3-yn-5-yl ester. Butyric acid, 4-phenyl-, 4-methyl-2-pentyl ester. 4-butylbenzoic acid, 2,7-dimethyloct-7-en-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-methyloct-5-yn-4-yl ester. Butyric acid, 4-phenyl-, hex-4-yn-3-yl ester. 2-Pentanol, 4-methyl-1-phenyl, acetate. Benzeneacetic acid, 4-chloro-, 2,7-dimethyloct-1-en-3-yn-5-yl ester. 3-Hydroxy-17alpha-oxa-d-homoestra-1,3,5(10),6,8-pentaen-17-one.

Find more compounds similar to Butyric acid, 4-phenyl-, 2,7-dimethyloct-1-en-3-yn-5-yl ester.

Sources

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