Chemical Properties of 4-(1-Carboxyethyl)benzoic acid, dimethyl

4-(1-Carboxyethyl)benzoic acid, dimethyl

InChI
InChI=1S/C12H14O4/c1-8(11(13)15-2)9-4-6-10(7-5-9)12(14)16-3/h4-8H,1-3H3
InChI Key
LMGDXEZEUHTSEE-UHFFFAOYSA-N
Formula
C12H14O4
SMILES
COC(=O)c1ccc(C(C)C(=O)OC)cc1
Molecular Weight1
222.24
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Physical Properties

Property Value Unit Source
ω 0.6209 Relay (1.0) Calculated Property
ΔfH°gas -669.79 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 25.70 kJ/mol Joback Calculated Property
ΔvapH° 83.44 kJ/mol Relay (1.0) Calculated Property
IE 9.00 eV Relay (1.0) Calculated Property
log10WS -2.67 Relay (1.0) Calculated Property
logPoct/wat 1.750 Crippen Calculated Property
McVol 171.060 ml/mol McGowan Calculated Property
Pc 2412.37 kPa Joback Calculated Property
Inp [1618.00; 1618.00]   Show Hide
Inp 1618.00 NIST
Inp 1618.00 NIST
Tboil 554.42 K Relay (1.0) Calculated Property
Tc 762.73 K Relay (1.0) Calculated Property
Tfus 311.69 K Relay (1.0) Calculated Property
Vc 0.620 m3/kmol Relay (1.0) Calculated Property

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Correlations

Property Value Unit Temperature (K) Source
Cp,gas [237.70; 533.61] 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 A2.15100e+01
Coefficient B9.01760e-01
Coefficient C-4.07160e-04
Coefficient D1.75000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 237.70 J/mol×K 273.00 Calculated Property
Cp,gas 290.35 J/mol×K 353.78 Calculated Property
Cp,gas 337.92 J/mol×K 434.56 Calculated Property
Cp,gas 380.48 J/mol×K 515.33 Calculated Property
Cp,gas 418.08 J/mol×K 596.11 Calculated Property
Cp,gas 450.78 J/mol×K 676.89 Calculated Property
Cp,gas 478.62 J/mol×K 757.67 Calculated Property
Cp,gas 501.67 J/mol×K 838.44 Calculated Property
Cp,gas 519.98 J/mol×K 919.22 Calculated Property
Cp,gas 533.61 J/mol×K 1000.00 Calculated Property
Property Value Unit Temperature (K) Source
η [0.0025535; 0.0001440] Pa×s [333.60; 583.52] 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-1.26842e+01
Coefficient B2.23978e+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.333.60
Temperature range, max.583.52
η 0.0025535 Pa×s 333.60 Calculated Property
η 0.0015243 Pa×s 361.37 Calculated Property
η 0.0009795 Pa×s 389.14 Calculated Property
η 0.0006676 Pa×s 416.91 Calculated Property
η 0.0004773 Pa×s 444.68 Calculated Property
η 0.0003550 Pa×s 472.45 Calculated Property
η 0.0002728 Pa×s 500.21 Calculated Property
η 0.0002156 Pa×s 527.98 Calculated Property
η 0.0001744 Pa×s 555.75 Calculated Property
η 0.0001440 Pa×s 583.52 Calculated Property

Similar Compounds

2-(4-Formylphenyl)propanoic acid, methyl. 2-(4-Isobutyrylphenyl)propanoic acid, methyl. Benzeneacetic acid, «alpha»-methyl-, methyl ester. KETOPROFEN ME-ESTER. Hydratropic acid, butyl ester. Naproxen methyl ester. Hydratropic acid, isopropyl ester. Tropic acid, methyl ester. Ibuprofen methyl ester. 2-[4-(1-Hydroxy-2-methylpropyl)phenyl]propanoic acid, dimethyl. 2-(4-cyclohexylmethoxy-phenyl)-propionic acid, methyl ester. Naproxen, hydroxy, bis-methylated. Fenoprofen, methylated. Hydratropic acid, hex-4-yn-3-yl ester. Hydratropic acid, pentyl ester.

Find more compounds similar to 4-(1-Carboxyethyl)benzoic acid, dimethyl.

Sources

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