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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[396.99; 459.87]	J/mol×K	[627.92; 825.36]
Cp,gas	396.99	J/mol×K	627.92	Joback Calculated Property
Cp,gas	409.30	J/mol×K	660.83	Joback Calculated Property
Cp,gas	420.86	J/mol×K	693.73	Joback Calculated Property
Cp,gas	431.67	J/mol×K	726.64	Joback Calculated Property
Cp,gas	441.76	J/mol×K	759.55	Joback Calculated Property
Cp,gas	451.16	J/mol×K	792.46	Joback Calculated Property
Cp,gas	459.87	J/mol×K	825.36	Joback Calculated Property
η	[0.0000518; 0.0087256]	Pa×s	[328.30; 627.92]
η	0.0087256	Pa×s	328.30	Joback Calculated Property
η	0.0021127	Pa×s	378.24	Joback Calculated Property
η	0.0007121	Pa×s	428.17	Joback Calculated Property
η	0.0003013	Pa×s	478.11	Joback Calculated Property
η	0.0001500	Pa×s	528.05	Joback Calculated Property
η	0.0000842	Pa×s	577.98	Joback Calculated Property
η	0.0000518	Pa×s	627.92	Joback 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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.