Chemical Properties of Butyric acid, 2-phenyl-, 4-methyl-2-pentyl ester

Butyric acid, 2-phenyl-, 4-methyl-2-pentyl ester

InChI
InChI=1S/C16H24O2/c1-5-15(14-9-7-6-8-10-14)16(17)18-13(4)11-12(2)3/h6-10,12-13,15H,5,11H2,1-4H3
InChI Key
OMNGYYASSMTEQW-UHFFFAOYSA-N
Formula
C16H24O2
SMILES
CCC(C(=O)OC(C)CC(C)C)c1ccccc1
Molecular Weight1
248.36
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Physical Properties

Property Value Unit Source
ω 0.5857 Relay (1.0) Calculated Property
ΔfH°gas -482.01 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 25.04 kJ/mol Joback Calculated Property
ΔvapH° 74.27 kJ/mol Relay (1.0) Calculated Property
IE 8.66 eV Relay (1.0) Calculated Property
log10WS -4.13 Relay (1.0) Calculated Property
logPoct/wat 4.158 Crippen Calculated Property
McVol 219.980 ml/mol McGowan Calculated Property
Pc 1744.82 kPa Joback Calculated Property
Inp [1587.00; 1587.00]   Show Hide
Inp 1587.00 NIST
Inp 1587.00 NIST
Tboil 547.49 K Relay (1.0) Calculated Property
Tc 768.74 K Relay (1.0) Calculated Property
Tfus 271.50 K Relay (1.0) Calculated Property

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Correlations

Property Value Unit Temperature (K) Source
Cp,gas [303.04; 735.98] 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-2.51980e+01
Coefficient B1.40788e+00
Coefficient C-7.92800e-04
Coefficient D1.46100e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 303.04 J/mol×K 273.00 Calculated Property
Cp,gas 380.12 J/mol×K 353.78 Calculated Property
Cp,gas 448.88 J/mol×K 434.56 Calculated Property
Cp,gas 509.78 J/mol×K 515.33 Calculated Property
Cp,gas 563.28 J/mol×K 596.11 Calculated Property
Cp,gas 609.85 J/mol×K 676.89 Calculated Property
Cp,gas 649.94 J/mol×K 757.67 Calculated Property
Cp,gas 684.02 J/mol×K 838.44 Calculated Property
Cp,gas 712.54 J/mol×K 919.22 Calculated Property
Cp,gas 735.98 J/mol×K 1000.00 Calculated Property
Property Value Unit Temperature (K) Source
η [0.0070550; 0.0001207] Pa×s [293.83; 597.02] Joback Predicted correlation Show Hide
EquationY = exp(A + B/T + C·ln(T) + D·T^E)
Y is η in Pa×s, T in K
Coefficient A-1.29641e+01
Coefficient B2.35360e+03
Coefficient C0.00000e+00
Coefficient D0.00000e+00
Coefficient E0.00000e+00
CommentLiquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.293.83
Temperature range, max.597.02
η 0.0070550 Pa×s 293.83 Calculated Property
η 0.0030951 Pa×s 327.52 Calculated Property
η 0.0015835 Pa×s 361.21 Calculated Property
η 0.0009082 Pa×s 394.89 Calculated Property
η 0.0005685 Pa×s 428.58 Calculated Property
η 0.0003810 Pa×s 462.27 Calculated Property
η 0.0002696 Pa×s 495.96 Calculated Property
η 0.0001994 Pa×s 529.64 Calculated Property
η 0.0001528 Pa×s 563.33 Calculated Property
η 0.0001207 Pa×s 597.02 Calculated Property

Similar Compounds

Butyric acid, 2-phenyl-, pent-2-yl ester. Butyric acid, 2-phenyl-, hept-2-yl ester. Butyric acid, 2-phenyl-, dec-2-yl ester. Butyric acid, 2-phenyl-, 2-methylpent-3-yl ester. Butyric acid, 2-phenyl-, 2-methyloct-5-yn-4-yl ester. Butyric acid, 2-phenyl-, 3-methylbut-2-yl ester. Butyric acid, 2-phenyl-, 2-ethylhexyl ester. Butyric acid, 2-phenyl-, cyclohexylmethyl ester. Butyric acid, 2-phenyl-, 2,7-dimethyloct-1-en-3-yn-5-yl ester. Butyric acid, 2-phenyl-, hexyl ester. Butyric acid, 2-phenyl-, heptyl ester. Di-(2-ethylbutyl)-2,5-diphenyl adipate. Butyric acid, 2-phenyl-, tetradecyl ester. Butyric acid, 2-phenyl-, tridecyl ester. Butyric acid, 2-phenyl-, dodecyl ester.

Find more compounds similar to Butyric acid, 2-phenyl-, 4-methyl-2-pentyl ester.

Sources

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