Chemical Properties of 2-Pentanol, 4-methyl-1-phenyl, acetate

2-Pentanol, 4-methyl-1-phenyl, acetate

InChI
InChI=1S/C14H20O2/c1-11(2)9-14(16-12(3)15)10-13-7-5-4-6-8-13/h4-8,11,14H,9-10H2,1-3H3
InChI Key
PNFCKPDFDXAHTA-UHFFFAOYSA-N
Formula
C14H20O2
SMILES
CC(=O)OC(Cc1ccccc1)CC(C)C
Molecular Weight1
220.31
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Physical Properties

Property Value Unit Source
ω 0.5552 Relay (1.0) Calculated Property
ΔfH°gas -428.84 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 23.38 kJ/mol Joback Calculated Property
ΔvapH° 78.51 kJ/mol Relay (1.0) Calculated Property
IE 8.77 eV Relay (1.0) Calculated Property
log10WS -3.59 Relay (1.0) Calculated Property
logPoct/wat 3.207 Crippen Calculated Property
McVol 191.800 ml/mol McGowan Calculated Property
Pc 2047.46 kPa Joback Calculated Property
Inp [1459.00; 1459.00]   Show Hide
Inp 1459.00 NIST
Inp 1459.00 NIST
I [1943.00; 1943.00]   Show Hide
I 1943.00 NIST
I 1943.00 NIST
Tboil 536.70 K Relay (1.0) Calculated Property
Tc 740.42 K Relay (1.0) Calculated Property
Tfus 243.07 K Relay (1.0) Calculated Property
Vc 0.690 m3/kmol Relay (1.0) Calculated Property

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Correlations

Property Value Unit Temperature (K) Source
Cp,gas [260.93; 632.26] 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-2.16980e+01
Coefficient B1.21196e+00
Coefficient C-6.80800e-04
Coefficient D1.22800e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 260.93 J/mol×K 273.00 Calculated Property
Cp,gas 327.30 J/mol×K 353.78 Calculated Property
Cp,gas 386.48 J/mol×K 434.56 Calculated Property
Cp,gas 438.87 J/mol×K 515.33 Calculated Property
Cp,gas 484.86 J/mol×K 596.11 Calculated Property
Cp,gas 524.82 J/mol×K 676.89 Calculated Property
Cp,gas 559.16 J/mol×K 757.67 Calculated Property
Cp,gas 588.25 J/mol×K 838.44 Calculated Property
Cp,gas 612.49 J/mol×K 919.22 Calculated Property
Cp,gas 632.26 J/mol×K 1000.00 Calculated Property
Property Value Unit Temperature (K) Source
η [0.0059711; 0.0001510] Pa×s [286.29; 566.74] 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-1.25520e+01
Coefficient B2.12746e+03
Coefficient C0.00000e+00
Coefficient D0.00000e+00
Coefficient E0.00000e+00
Temperature range, min.286.29
Temperature range, max.566.74
η 0.0059711 Pa×s 286.29 Calculated Property
η 0.0028791 Pa×s 317.45 Calculated Property
η 0.0015816 Pa×s 348.61 Calculated Property
η 0.0009586 Pa×s 379.77 Calculated Property
η 0.0006268 Pa×s 410.94 Calculated Property
η 0.0004352 Pa×s 442.10 Calculated Property
η 0.0003170 Pa×s 473.26 Calculated Property
η 0.0002401 Pa×s 504.42 Calculated Property
η 0.0001879 Pa×s 535.58 Calculated Property
η 0.0001510 Pa×s 566.74 Calculated Property

Similar Compounds

Butyric acid, 4-phenyl-, 4-methyl-2-pentyl ester. Acetic acid, 2-phenylcyclohexyl ester. 5-Phenylvaleric acid, 4-methyl-2-pentyl ester. Benzeneethanol, «alpha»-(2-methylpropyl)-. Butyric acid, 4-phenyl-, 2-methyloct-5-yn-4-yl ester. Butyric acid, 4-phenyl-, 2,7-dimethyloct-1-en-3-yn-5-yl ester. Pimelic acid, 4-methyl-2-pentyl phenethyl ester. 1-Phenyl-2-norbornanol, acetate. Pimelic acid, 4-methyl-2-pentyl 3-phenylpropyl ester. 1,3,5(10)-Oestratrien-17«alpha»-ol, TFA. 1,3,5(10)-Oestratrien-17«beta»-ol, TFA. Anthracene, 1,2,3,4-tetrahydro-2-ol, acetate. Avenaciolide, 6-(2-phenylethyl)-4-demethylene. 5- METHYL-2- PHENYL-1- HEXANYL ACETATE. Avenaciolide, 6-[2-(2-chlorophenyl)ethyl]-4-demethylene.

Find more compounds similar to 2-Pentanol, 4-methyl-1-phenyl, acetate.

Sources

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