Chemical Properties of 4-Methylbenzoic acid, 3-ethylphenyl ester

4-Methylbenzoic acid, 3-ethylphenyl ester

InChI
InChI=1S/C16H16O2/c1-3-13-5-4-6-15(11-13)18-16(17)14-9-7-12(2)8-10-14/h4-11H,3H2,1-2H3
InChI Key
VEEIELJHKDLCKS-UHFFFAOYSA-N
Formula
C16H16O2
SMILES
CCc1cccc(OC(=O)c2ccc(C)cc2)c1
Molecular Weight1
240.30
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Physical Properties

Property Value Unit Source
ω 0.6757 Relay (1.0) Calculated Property
ΔfG° -20.97 kJ/mol Joback Calculated Property
ΔfH°gas -247.00 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 28.87 kJ/mol Joback Calculated Property
ΔvapH° 87.95 kJ/mol Relay (1.0) Calculated Property
IE 8.22 eV Relay (1.0) Calculated Property
log10WS -4.96 Relay (1.0) Calculated Property
logPoct/wat 3.777 Crippen Calculated Property
McVol 196.220 ml/mol McGowan Calculated Property
Pc 2231.30 kPa Joback Calculated Property
Inp 2061.00 NIST
Tboil 609.55 K Relay (1.0) Calculated Property
Tc 849.86 K Relay (1.0) Calculated Property
Tfus 291.92 K Relay (1.0) Calculated Property
Vc 0.723 m3/kmol Relay (1.0) Calculated Property

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [251.83; 609.76] 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-2.54590e+01
Coefficient B1.19224e+00
Coefficient C-6.80320e-04
Coefficient D1.23300e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 251.83 J/mol×K 273.00 Calculated Property
Cp,gas 316.64 J/mol×K 353.78 Calculated Property
Cp,gas 374.28 J/mol×K 434.56 Calculated Property
Cp,gas 425.14 J/mol×K 515.33 Calculated Property
Cp,gas 469.62 J/mol×K 596.11 Calculated Property
Cp,gas 508.09 J/mol×K 676.89 Calculated Property
Cp,gas 540.95 J/mol×K 757.67 Calculated Property
Cp,gas 568.59 J/mol×K 838.44 Calculated Property
Cp,gas 591.39 J/mol×K 919.22 Calculated Property
Cp,gas 609.76 J/mol×K 1000.00 Calculated Property
Property Value Unit Temperature (K) Source
η [0.0011964; 0.0001336] Pa×s [390.29; 644.11] 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-1.22911e+01
Coefficient B2.17104e+03
Coefficient C0.00000e+00
Coefficient D0.00000e+00
Coefficient E0.00000e+00
Temperature range, min.390.29
Temperature range, max.644.11
η 0.0011964 Pa×s 390.29 Calculated Property
η 0.0008224 Pa×s 418.49 Calculated Property
η 0.0005927 Pa×s 446.70 Calculated Property
η 0.0004441 Pa×s 474.90 Calculated Property
η 0.0003437 Pa×s 503.10 Calculated Property
η 0.0002733 Pa×s 531.30 Calculated Property
η 0.0002224 Pa×s 559.51 Calculated Property
η 0.0001847 Pa×s 587.71 Calculated Property
η 0.0001559 Pa×s 615.91 Calculated Property
η 0.0001336 Pa×s 644.11 Calculated Property

Similar Compounds

Benzoic acid, 3-ethylphenyl ester. 4-Ethylbenzoic acid, 3-methylphenyl ester. Benzoic acid, 3-methyl-, 3-ethylphenyl ester. 1-Naphthoic acid, 3-ethylphenyl ester. 4-Ethylbenzoic acid, 3,5-dimethylphenyl ester. 2-Bromobenzoic acid, 3-ethylphenyl ester. Phthalic acid, di(3-ethylphenyl) ester. 2-Chlorobenzoic acid, 3-ethylphenyl ester. 2-Fluorobenzoic acid, 3-ethylphenyl ester. 4-Ethylbenzoic acid, 2-naphthyl ester. 2,4-Difluorobenzoic acid, 3-ethylphenyl ester. 4-Ethylbenzoic acid, 4-methoxyphenyl ester. 4-Butylbenzoic acid, 3-methylphenyl ester. Benzoic acid, 4-ethyl-, 4-cyanophenyl ester. 4-Ethylbenzoic acid, 4-benzyloxyphenyl ester.

Find more compounds similar to 4-Methylbenzoic acid, 3-ethylphenyl ester.

Sources

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