Chemical Properties of Benzoic acid, 3-hydroxy-butyl ester

InChI

InChI=1S/C11H14O3/c1-9(12)7-8-14-11(13)10-5-3-2-4-6-10/h2-6,9,12H,7-8H2,1H3

InChI Key

ZLYDSUAKIPQLNA-UHFFFAOYSA-N

Formula

C11H14O3

SMILES

CC(O)CCOC(=O)c1ccccc1

Molecular Weight¹

194.23

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[210.10; 495.62]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-1.19980e+01
Coefficient B			9.55020e-01
Coefficient C			-5.44800e-04
Coefficient D			9.74000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	210.10	J/mol×K	273.00	Calculated Property
Cp,gas	261.99	J/mol×K	353.78	Calculated Property
Cp,gas	308.12	J/mol×K	434.56	Calculated Property
Cp,gas	348.80	J/mol×K	515.33	Calculated Property
Cp,gas	384.34	J/mol×K	596.11	Calculated Property
Cp,gas	415.04	J/mol×K	676.89	Calculated Property
Cp,gas	441.21	J/mol×K	757.67	Calculated Property
Cp,gas	463.15	J/mol×K	838.44	Calculated Property
Cp,gas	481.19	J/mol×K	919.22	Calculated Property
Cp,gas	495.62	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0087256; 0.0000844]	Pa×s	[328.30; 577.75]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.54840e+01
Coefficient B			3.52675e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			328.30
Temperature range, max.			577.75
η	0.0087256	Pa×s	328.30	Calculated Property
η	0.0037807	Pa×s	356.02	Calculated Property
η	0.0018485	Pa×s	383.73	Calculated Property
η	0.0009953	Pa×s	411.45	Calculated Property
η	0.0005794	Pa×s	439.17	Calculated Property
η	0.0003597	Pa×s	466.89	Calculated Property
η	0.0002356	Pa×s	494.60	Calculated Property
η	0.0001614	Pa×s	522.32	Calculated Property
η	0.0001148	Pa×s	550.04	Calculated Property
η	0.0000844	Pa×s	577.75	Calculated Property

Similar Compounds

Find more compounds similar to Benzoic acid, 3-hydroxy-butyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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