Chemical Properties of 4-Isopropylphenylacetic acid (CAS 4476-28-2)

InChI

InChI=1S/C11H14O2/c1-8(2)10-5-3-9(4-6-10)7-11(12)13/h3-6,8H,7H2,1-2H3,(H,12,13)

InChI Key

RERBQXVRXYCGLT-UHFFFAOYSA-N

Formula

C11H14O2

SMILES

CC(C)c1ccc(CC(=O)O)cc1

Molecular Weight¹

178.23

CAS

4476-28-2

Other Names

• p-Isopropyl phenyl acetic acid
• Benzeneacetic acid, 4-(1-methylethyl)-

• 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).
• 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

Property	Value	Unit	Source
ω	0.7042		Relay (1.0) Calculated Property
ΔfG°	-201.83	kJ/mol	Joback Calculated Property
ΔfH°gas	-403.41	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	24.52	kJ/mol	Joback Calculated Property
ΔvapH°	81.00	kJ/mol	Relay (1.0) Calculated Property
IE	8.41	eV	Relay (1.0) Calculated Property
log10WS	-2.88		Relay (1.0) Calculated Property
logPoct/wat	2.437		Crippen Calculated Property
McVol	149.530	ml/mol	McGowan Calculated Property
Pc	2887.40	kPa	Joback Calculated Property
Inp	[1514.00; 1514.00]
Inp	1514.00		NIST
Inp	1514.00		NIST
Tboil	556.50	K	Relay (1.0) Calculated Property
Tc	787.44	K	Relay (1.0) Calculated Property
Tfus	346.58	K	Relay (1.0) Calculated Property
Vc	0.534	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[377.80; 444.90]	J/mol×K	[628.01; 849.53]
Cp,gas	377.80	J/mol×K	628.01	Joback Calculated Property
Cp,gas	391.02	J/mol×K	664.93	Joback Calculated Property
Cp,gas	403.36	J/mol×K	701.85	Joback Calculated Property
Cp,gas	414.87	J/mol×K	738.77	Joback Calculated Property
Cp,gas	425.61	J/mol×K	775.69	Joback Calculated Property
Cp,gas	435.60	J/mol×K	812.61	Joback Calculated Property
Cp,gas	444.90	J/mol×K	849.53	Joback Calculated Property
η	[0.0001785; 0.0012685]	Pa×s	[398.27; 628.01]
η	0.0012685	Pa×s	398.27	Joback Calculated Property
η	0.0007926	Pa×s	436.56	Joback Calculated Property
η	0.0005343	Pa×s	474.85	Joback Calculated Property
η	0.0003820	Pa×s	513.14	Joback Calculated Property
η	0.0002862	Pa×s	551.43	Joback Calculated Property
η	0.0002226	Pa×s	589.72	Joback Calculated Property
η	0.0001785	Pa×s	628.01	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4-Isopropylphenylacetic acid.

Sources

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

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