Chemical Properties of Benzoic acid, 4-(1-methylethyl)- (CAS 536-66-3)

InChI

InChI=1S/C10H12O2/c1-7(2)8-3-5-9(6-4-8)10(11)12/h3-7H,1-2H3,(H,11,12)

InChI Key

CKMXAIVXVKGGFM-UHFFFAOYSA-N

Formula

C10H12O2

SMILES

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

Molecular Weight¹

164.20

CAS

536-66-3

Other Names

• 4-(1-Methylethyl)benzoic acid
• 4-Isopropylbenzoic acid
• Benzoic acid, p-isopropyl-
• Cumic acid
• Cuminic acid
• p-Isopropylbenzoic 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).
• P_vap : Vapor pressure (kPa).
• 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

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[329.86; 392.98]	J/mol×K	[605.13; 830.81]
Cp,gas	329.86	J/mol×K	605.13	Joback Calculated Property
Cp,gas	342.35	J/mol×K	642.74	Joback Calculated Property
Cp,gas	353.99	J/mol×K	680.36	Joback Calculated Property
Cp,gas	364.83	J/mol×K	717.97	Joback Calculated Property
Cp,gas	374.91	J/mol×K	755.58	Joback Calculated Property
Cp,gas	384.28	J/mol×K	793.20	Joback Calculated Property
Cp,gas	392.98	J/mol×K	830.81	Joback Calculated Property
η	[0.0001953; 0.0013069]	Pa×s	[387.00; 605.13]
η	0.0013069	Pa×s	387.00	Joback Calculated Property
η	0.0008309	Pa×s	423.36	Joback Calculated Property
η	0.0005675	Pa×s	459.71	Joback Calculated Property
η	0.0004099	Pa×s	496.06	Joback Calculated Property
η	0.0003095	Pa×s	532.42	Joback Calculated Property
η	0.0002422	Pa×s	568.77	Joback Calculated Property
η	0.0001953	Pa×s	605.13	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[411.00; 577.45]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.50454e+01
Coefficient B			-4.75954e+03
Coefficient C			-8.84900e+01
Temperature range, min.			411.00
Temperature range, max.			577.45
Pvap	1.33	kPa	411.00	Calculated Property
Pvap	2.97	kPa	429.49	Calculated Property
Pvap	6.09	kPa	447.99	Calculated Property
Pvap	11.63	kPa	466.48	Calculated Property
Pvap	20.93	kPa	484.98	Calculated Property
Pvap	35.74	kPa	503.47	Calculated Property
Pvap	58.29	kPa	521.97	Calculated Property
Pvap	91.36	kPa	540.46	Calculated Property
Pvap	138.21	kPa	558.96	Calculated Property
Pvap	202.63	kPa	577.45	Calculated Property

Similar Compounds

Find more compounds similar to Benzoic acid, 4-(1-methylethyl)-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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