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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[197.43; 476.58]	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			-2.37990e+01
Coefficient B			9.67140e-01
Coefficient C			-6.14560e-04
Coefficient D			1.47800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	197.43	J/mol×K	273.00	Calculated Property
Cp,gas	247.98	J/mol×K	353.78	Calculated Property
Cp,gas	292.55	J/mol×K	434.56	Calculated Property
Cp,gas	331.62	J/mol×K	515.33	Calculated Property
Cp,gas	365.65	J/mol×K	596.11	Calculated Property
Cp,gas	395.11	J/mol×K	676.89	Calculated Property
Cp,gas	420.46	J/mol×K	757.67	Calculated Property
Cp,gas	442.18	J/mol×K	838.44	Calculated Property
Cp,gas	460.73	J/mol×K	919.22	Calculated Property
Cp,gas	476.58	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0012685; 0.0002159]	Pa×s	[398.27; 594.67]	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			-1.20309e+01
Coefficient B			2.13512e+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.			398.27
Temperature range, max.			594.67
η	0.0012685	Pa×s	398.27	Calculated Property
η	0.0009602	Pa×s	420.09	Calculated Property
η	0.0007470	Pa×s	441.91	Calculated Property
η	0.0005951	Pa×s	463.74	Calculated Property
η	0.0004839	Pa×s	485.56	Calculated Property
η	0.0004005	Pa×s	507.38	Calculated Property
η	0.0003367	Pa×s	529.20	Calculated Property
η	0.0002870	Pa×s	551.03	Calculated Property
η	0.0002476	Pa×s	572.85	Calculated Property
η	0.0002159	Pa×s	594.67	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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