Chemical Properties of Phenol, 2-(1-methylpropyl)- (CAS 89-72-5)

InChI

InChI=1S/C10H14O/c1-3-8(2)9-6-4-5-7-10(9)11/h4-8,11H,3H2,1-2H3

InChI Key

NGFPWHGISWUQOI-UHFFFAOYSA-N

Formula

C10H14O

SMILES

CCC(C)c1ccccc1O

Molecular Weight¹

150.22

CAS

89-72-5

Other Names

• 2-(1-Methylpropyl)phenol
• 2-sec-Butylphenol
• 2-sec.Butylfenol
• Phenol, o-sec-butyl-
• o-sec-Butylphenol

• 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_fH°_liquid : Liquid phase 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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).
• 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	0.5235		Relay (1.0) Calculated Property
ΔfG°	-11.33	kJ/mol	Joback Calculated Property
ΔfH°gas	-191.40	kJ/mol	NIST
ΔfH°liquid	-251.30	kJ/mol	NIST
ΔfusH°	17.96	kJ/mol	Joback Calculated Property
ΔvapH°	59.90	kJ/mol	NIST
IE	8.12	eV	Relay (1.0) Calculated Property
log10WS	-2.34		Relay (1.0) Calculated Property
logPoct/wat	2.906		Crippen Calculated Property
McVol	133.870	ml/mol	McGowan Calculated Property
Pc	3501.28	kPa	Joback Calculated Property
Inp	1252.00		NIST
Tboil	[496.15; 503.65]	K
Tboil	500.20	K	NIST
Tboil	496.15 ± 3.00	K	NIST
Tboil	500.65 ± 3.00	K	NIST
Tboil	503.65 ± 4.00	K	NIST
Tboil	500.65 ± 3.00	K	NIST
Tboil	500.15 ± 3.00	K	NIST
Tc	722.63	K	Relay (1.0) Calculated Property
Tfus	291.15 ± 3.00	K	NIST
Vc	0.456	m3/kmol	Relay (1.0) 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
ΔvapH	52.10	kJ/mol	482.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[380.92; 529.94]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.54407e+01
Coefficient B			-4.55275e+03
Coefficient C			-8.04700e+01
Temperature range, min.			380.92
Temperature range, max.			529.94
Pvap	1.33	kPa	380.92	Calculated Property
Pvap	2.94	kPa	397.48	Calculated Property
Pvap	6.00	kPa	414.04	Calculated Property
Pvap	11.44	kPa	430.59	Calculated Property
Pvap	20.59	kPa	447.15	Calculated Property
Pvap	35.20	kPa	463.71	Calculated Property
Pvap	57.57	kPa	480.27	Calculated Property
Pvap	90.55	kPa	496.82	Calculated Property
Pvap	137.57	kPa	513.38	Calculated Property
Pvap	202.66	kPa	529.94	Calculated Property

Similar Compounds

Find more compounds similar to Phenol, 2-(1-methylpropyl)-.

Mixtures

• Phenol, 2-(1-methylpropyl)- + Water
• Furfural + Phenol, 2-(1-methylpropyl)- + Water
• Formic acid + Phenol, 2-(1-methylpropyl)- + Water

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Mutual Solubilities for the Water 2-sec-Butylphenol System and Partition Coefficients for Furfural and Formic Acid in the Water 2-sec-Butylphenol System
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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