Chemical Properties of (3-Chloro-4-benzyloxy-phenyl)-propionic acid, methyl ester

(3-Chloro-4-benzyloxy-phenyl)-propionic acid, methyl ester

InChI
InChI=1S/C17H17ClO3/c1-20-17(19)10-8-13-7-9-16(15(18)11-13)21-12-14-5-3-2-4-6-14/h2-7,9,11H,8,10,12H2,1H3
InChI Key
QOSMQHRKFPWFKW-UHFFFAOYSA-N
Formula
C17H17ClO3
SMILES
COC(=O)CCc1ccc(OCc2ccccc2)c(Cl)c1
Molecular Weight1
304.77
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Physical Properties

Property Value Unit Source
ΔfusH° 36.84 kJ/mol Joback Calculated Property
ΔvapH° 103.91 kJ/mol Relay (1.0) Calculated Property
IE 8.25 eV Relay (1.0) Calculated Property
log10WS -4.67 Relay (1.0) Calculated Property
logPoct/wat 4.025 Crippen Calculated Property
McVol 228.420 ml/mol McGowan Calculated Property
Inp [2332.30; 2332.30]   Show Hide
Inp 2332.30 NIST
Inp 2332.30 NIST
Tboil 629.53 K Relay (1.0) Calculated Property
Tfus 313.24 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor 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 [301.85; 688.12] 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 A1.20230e+01
Coefficient B1.23082e+00
Coefficient C-6.44120e-04
Coefficient D8.94000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 301.85 J/mol×K 273.00 Calculated Property
Cp,gas 370.80 J/mol×K 353.78 Calculated Property
Cp,gas 432.58 J/mol×K 434.56 Calculated Property
Cp,gas 487.48 J/mol×K 515.33 Calculated Property
Cp,gas 535.78 J/mol×K 596.11 Calculated Property
Cp,gas 577.76 J/mol×K 676.89 Calculated Property
Cp,gas 613.70 J/mol×K 757.67 Calculated Property
Cp,gas 643.88 J/mol×K 838.44 Calculated Property
Cp,gas 668.60 J/mol×K 919.22 Calculated Property
Cp,gas 688.12 J/mol×K 1000.00 Calculated Property
Property Value Unit Temperature (K) Source
η [0.0006802; 0.0000941] Pa×s [453.71; 698.84] 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-1.29324e+01
Coefficient B2.55861e+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.453.71
Temperature range, max.698.84
η 0.0006802 Pa×s 453.71 Calculated Property
η 0.0004942 Pa×s 480.95 Calculated Property
η 0.0003716 Pa×s 508.18 Calculated Property
η 0.0002877 Pa×s 535.42 Calculated Property
η 0.0002282 Pa×s 562.66 Calculated Property
η 0.0001850 Pa×s 589.90 Calculated Property
η 0.0001528 Pa×s 617.13 Calculated Property
η 0.0001282 Pa×s 644.37 Calculated Property
η 0.0001092 Pa×s 671.61 Calculated Property
η 0.0000941 Pa×s 698.84 Calculated Property

Similar Compounds

3-(3-Chloro-4-benzyloxy-phenyl)-2-methyl-propionic acid, methyl ester. Propanoic acid, 3-(4-benzyloxyphenyl)-, methyl ester. 2-Amino-3-(3-chloro-4-methyloxy-phenyl)propanoic acid, methyl ester. 2-([(Dimethylamino)methylene]amino)-3-(3-chloro-4-methyloxy-phenyl)propanoic acid, methyl ester. 3-(3-chloro, 4-isobutoxyphenyl)-2-methyl-propionic acid, methyl ester. 2-([(Dimethylamino)methylene]amino)-3-(3-chloro-4-ethyloxy-phenyl)propanoic acid, ethyl ester. (3-Chloro-4-cyclohexylmethoxy-phenyl)-propionic acid, methyl ester. 2-(3-Chloro-4-benzyloxy-phenyl)-propionic acid, methyl ester. 2-([(Dimethylamino)methylene]amino)-3-(3-chloro-4-butyloxy-phenyl)propanoic acid, butyl ester. 3-Phenylpropionic acid, 4-benzyloxyphenyl ester. 5,7-Dihydroxy-2-(p-methoxyphenyl)-6,8-dimethyl-4-chromanone, (.+/-.)-. (3R,4R)-4-(Benzo[d][1,3]dioxol-5-ylmethyl)-3-(3,4,5-trimethoxybenzyl)dihydrofuran-2(3H)-one. (R)-1,2-Dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline. Furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one, 5,8,8a,9-tetrahydro-5-(3,4,5-trimethoxyphenyl)-, [5R-(5«alpha»,5a«beta»,8a«alpha»)]-. Quinapril desethyl 3Me (Quinaprilate 3Me).

Find more compounds similar to (3-Chloro-4-benzyloxy-phenyl)-propionic acid, methyl ester.

Sources

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