Chemical Properties of BUTYRIC ACID, 3-METHYL-3-[2-ISOPROPYLPHENYL]-

BUTYRIC ACID, 3-METHYL-3-[2-ISOPROPYLPHENYL]-

InChI
InChI=1S/C14H20O2/c1-10(2)11-7-5-6-8-12(11)14(3,4)9-13(15)16/h5-8,10H,9H2,1-4H3,(H,15,16)
InChI Key
DXOMBIDMLJEHGO-UHFFFAOYSA-N
Formula
C14H20O2
SMILES
CC(C)c1ccccc1C(C)(C)CC(=O)O
Molecular Weight1
220.31
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Physical Properties

Property Value Unit Source
ΔfH°gas -456.94 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 24.87 kJ/mol Joback Calculated Property
ΔvapH° 100.49 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 3.562 Crippen Calculated Property
McVol 191.800 ml/mol McGowan Calculated Property
Pc 2204.15 kPa Joback Calculated Property
Inp [1515.00; 1515.00]   Show Hide
Inp 1515.00 NIST
Inp 1515.00 NIST
Tboil 559.60 K Relay (1.0) Calculated Property
Tc 805.08 K Relay (1.0) Calculated Property
Tfus 342.88 K Relay (1.0) Calculated Property
Vc 0.678 m3/kmol Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [259.62; 632.82] 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-5.09990e+01
Coefficient B1.37798e+00
Coefficient C-9.49560e-04
Coefficient D2.55400e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 259.62 J/mol×K 273.00 Calculated Property
Cp,gas 328.96 J/mol×K 353.78 Calculated Property
Cp,gas 389.45 J/mol×K 434.56 Calculated Property
Cp,gas 441.90 J/mol×K 515.33 Calculated Property
Cp,gas 487.11 J/mol×K 596.11 Calculated Property
Cp,gas 525.88 J/mol×K 676.89 Calculated Property
Cp,gas 559.03 J/mol×K 757.67 Calculated Property
Cp,gas 587.37 J/mol×K 838.44 Calculated Property
Cp,gas 611.69 J/mol×K 919.22 Calculated Property
Cp,gas 632.82 J/mol×K 1000.00 Calculated Property
Property Value Unit Temperature (K) Source
η [0.0010784; 0.0001504] Pa×s [434.50; 640.81] 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-1.29500e+01
Coefficient B2.65814e+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.434.50
Temperature range, max.640.81
η 0.0010784 Pa×s 434.50 Calculated Property
η 0.0007937 Pa×s 457.42 Calculated Property
η 0.0006014 Pa×s 480.35 Calculated Property
η 0.0004674 Pa×s 503.27 Calculated Property
η 0.0003714 Pa×s 526.19 Calculated Property
η 0.0003008 Pa×s 549.12 Calculated Property
η 0.0002477 Pa×s 572.04 Calculated Property
η 0.0002071 Pa×s 594.97 Calculated Property
η 0.0001755 Pa×s 617.89 Calculated Property
η 0.0001504 Pa×s 640.81 Calculated Property

Similar Compounds

1H-Indene, 2,3-dihydro-1,1,3-trimethyl-. 1H-Inden-1-ol, 2,3-dihydro-3,3-dimethyl-. Naphthalene, 1,2,3,4-tetrahydro-1,1-dimethyl-. Simonellite. 1H-Indene, 1-ethyl-2,3-dihydro-1-methyl-. 1H-Indene, 2,3-dihydro-1,1-dimethyl-. ar-Himachalene. 1,1-Diethyl-1,2,3,4-tetrahydronaphthalene. 14-hydroxy-calamenene. 1H-Indene, 1-hexadecyl-2,3-dihydro-. Fluorene, 1,2,3,4,4a,9a-hexahydro-, cis-. 1,4-Methanonaphthalen-9-ol, 1,2,3,4-tetrahydro-, stereoisomer. 1H-Indene, 2-butyl-1-hexyl-2,3-dihydro-. 3-Ethyl-8,8,11a-trimethyl-2,3,6,7,7 a,8,9,10,11,11a-decahydro-1H-cyclopenta[a]chrysene. 1(2H)-Naphthalenone, 3,4-dihydro-4-methyl-.

Find more compounds similar to BUTYRIC ACID, 3-METHYL-3-[2-ISOPROPYLPHENYL]-.

Sources

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