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	[328.11; 387.38]	J/mol×K	[600.49; 804.72]
Cp,gas	328.11	J/mol×K	600.49	Joback Calculated Property
Cp,gas	339.69	J/mol×K	634.53	Joback Calculated Property
Cp,gas	350.55	J/mol×K	668.57	Joback Calculated Property
Cp,gas	360.71	J/mol×K	702.61	Joback Calculated Property
Cp,gas	370.22	J/mol×K	736.64	Joback Calculated Property
Cp,gas	379.10	J/mol×K	770.68	Joback Calculated Property
Cp,gas	387.38	J/mol×K	804.72	Joback Calculated Property
η	[0.0000861; 0.0090484]	Pa×s	[324.63; 600.49]
η	0.0090484	Pa×s	324.63	Joback Calculated Property
η	0.0025745	Pa×s	370.61	Joback Calculated Property
η	0.0009668	Pa×s	416.58	Joback Calculated Property
η	0.0004411	Pa×s	462.56	Joback Calculated Property
η	0.0002319	Pa×s	508.54	Joback Calculated Property
η	0.0001356	Pa×s	554.51	Joback Calculated Property
η	0.0000861	Pa×s	600.49	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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