Chemical Properties of 3-Phenylbutyric acid (CAS 4593-90-2)

InChI

InChI=1S/C10H12O2/c1-8(7-10(11)12)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,11,12)

InChI Key

ZZEWMYILWXCRHZ-UHFFFAOYSA-N

Formula

C10H12O2

SMILES

CC(CC(=O)O)c1ccccc1

Molecular Weight¹

164.20

CAS

4593-90-2

Other Names

• «beta»-Phenyl-n-butyric acid
• Benzenepropanoic acid, «beta»-methyl-
• 3-Phenylbutanoic acid

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (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

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[330.78; 394.77]	J/mol×K	[600.15; 824.85]
Cp,gas	330.78	J/mol×K	600.15	Joback Calculated Property
Cp,gas	343.51	J/mol×K	637.60	Joback Calculated Property
Cp,gas	355.36	J/mol×K	675.05	Joback Calculated Property
Cp,gas	366.35	J/mol×K	712.50	Joback Calculated Property
Cp,gas	376.55	J/mol×K	749.95	Joback Calculated Property
Cp,gas	386.01	J/mol×K	787.40	Joback Calculated Property
Cp,gas	394.77	J/mol×K	824.85	Joback Calculated Property
η	[0.0001991; 0.0016272]	Pa×s	[374.48; 600.15]
η	0.0016272	Pa×s	374.48	Joback Calculated Property
η	0.0009772	Pa×s	412.09	Joback Calculated Property
η	0.0006391	Pa×s	449.70	Joback Calculated Property
η	0.0004463	Pa×s	487.31	Joback Calculated Property
η	0.0003281	Pa×s	524.93	Joback Calculated Property
η	0.0002514	Pa×s	562.54	Joback Calculated Property
η	0.0001991	Pa×s	600.15	Joback Calculated Property

Pressure Dependent Properties

Similar Compounds

Find more compounds similar to 3-Phenylbutyric acid.

Sources

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

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