Chemical Properties of Phenol, 2-(2-methylpropyl)- (CAS 4167-75-3)

InChI

InChI=1S/C10H14O/c1-8(2)7-9-5-3-4-6-10(9)11/h3-6,8,11H,7H2,1-2H3

InChI Key

NFIDBGJMFKNGGQ-UHFFFAOYSA-N

Formula

C10H14O

SMILES

CC(C)Cc1ccccc1O

Molecular Weight¹

150.22

CAS

4167-75-3

Other Names

• 2-(2-Methylpropyl)phenol
• 2-Isobutylphenol
• Phenol, o-isobutyl-
• o-Isobutylphenol

• 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).
• 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

Property	Value	Unit	Source
ΔfG°	-11.33	kJ/mol	Joback Calculated Property
ΔfH°gas	-195.79	kJ/mol	Joback Calculated Property
ΔfusH°	17.96	kJ/mol	Joback Calculated Property
ΔvapH°	52.76	kJ/mol	Joback Calculated Property
log10WS	-2.42		Crippen Calculated Property
logPoct/wat	2.591		Crippen Calculated Property
McVol	133.870	ml/mol	McGowan Calculated Property
Pc	3501.28	kPa	Joback Calculated Property
Tboil	491.65 ± 3.00	K	NIST
Tc	758.39	K	Joback Calculated Property
Tfus	[266.35; 294.15]	K
Tfus	267.53 ± 1.00	K	NIST
Tfus	266.35 ± 1.00	K	NIST
Tfus	294.15 ± 2.00	K	NIST
Vc	0.448	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[311.88; 384.11]	J/mol×K	[535.06; 758.39]
Cp,gas	311.88	J/mol×K	535.06	Joback Calculated Property
Cp,gas	326.10	J/mol×K	572.28	Joback Calculated Property
Cp,gas	339.34	J/mol×K	609.50	Joback Calculated Property
Cp,gas	351.67	J/mol×K	646.73	Joback Calculated Property
Cp,gas	363.20	J/mol×K	683.95	Joback Calculated Property
Cp,gas	373.98	J/mol×K	721.17	Joback Calculated Property
Cp,gas	384.11	J/mol×K	758.39	Joback Calculated Property
η	[0.0000572; 0.0057625]	Pa×s	[325.60; 535.06]
η	0.0057625	Pa×s	325.60	Joback Calculated Property
η	0.0018414	Pa×s	360.51	Joback Calculated Property
η	0.0007197	Pa×s	395.42	Joback Calculated Property
η	0.0003276	Pa×s	430.33	Joback Calculated Property
η	0.0001678	Pa×s	465.24	Joback Calculated Property
η	0.0000944	Pa×s	500.15	Joback Calculated Property
η	0.0000572	Pa×s	535.06	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[388.00; 538.94]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.54655e+01
Coefficient B			-4.63032e+03
Coefficient C			-8.29300e+01
Temperature range, min.			388.00
Temperature range, max.			538.94
Pvap	1.33	kPa	388.00	Calculated Property
Pvap	2.94	kPa	404.77	Calculated Property
Pvap	6.00	kPa	421.54	Calculated Property
Pvap	11.43	kPa	438.31	Calculated Property
Pvap	20.56	kPa	455.08	Calculated Property
Pvap	35.17	kPa	471.86	Calculated Property
Pvap	57.53	kPa	488.63	Calculated Property
Pvap	90.50	kPa	505.40	Calculated Property
Pvap	137.52	kPa	522.17	Calculated Property
Pvap	202.65	kPa	538.94	Calculated Property

Similar Compounds

Find more compounds similar to Phenol, 2-(2-methylpropyl)-.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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