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
• o-sec-butylphenol
• phenol, o-sec-butyl-

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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
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	723.37	K	Relay (1.0) Calculated Property
Tfus	291.15 ± 3.00	K	NIST
Vc	0.453	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[176.94; 439.67]	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			-5.07090e+01
Coefficient B			1.03544e+00
Coefficient C			-8.10960e-04
Coefficient D			2.65900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	176.94	J/mol×K	273.00	Calculated Property
Cp,gas	225.88	J/mol×K	353.78	Calculated Property
Cp,gas	267.93	J/mol×K	434.56	Calculated Property
Cp,gas	303.91	J/mol×K	515.33	Calculated Property
Cp,gas	334.68	J/mol×K	596.11	Calculated Property
Cp,gas	361.07	J/mol×K	676.89	Calculated Property
Cp,gas	383.92	J/mol×K	757.67	Calculated Property
Cp,gas	404.08	J/mol×K	838.44	Calculated Property
Cp,gas	422.38	J/mol×K	919.22	Calculated Property
Cp,gas	439.67	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0232292; 0.0000604]	Pa×s	[291.15; 531.07]	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			-1.69379e+01
Coefficient B			3.83606e+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.			291.15
Temperature range, max.			531.07
η	0.0232292	Pa×s	291.15	Calculated Property
η	0.0076923	Pa×s	317.81	Calculated Property
η	0.0030225	Pa×s	344.47	Calculated Property
η	0.0013582	Pa×s	371.12	Calculated Property
η	0.0006794	Pa×s	397.78	Calculated Property
η	0.0003707	Pa×s	424.44	Calculated Property
η	0.0002173	Pa×s	451.10	Calculated Property
η	0.0001352	Pa×s	477.76	Calculated Property
η	0.0000885	Pa×s	504.42	Calculated Property
η	0.0000604	Pa×s	531.07	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[380.92; 529.94]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
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
Pvap	[26.54; 133.39]	kPa	[451.88; 512.66]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.39909e+01
Coefficient B			-3.66858e+03
Coefficient C			-1.09414e+02
Reference			Handley, Harrop, et al., 1964, 2
Comment			Coefficents calculated by NIST from author's data.
Temperature range, min.			451.88
Temperature range, max.			512.66
Pvap	26.54	kPa	451.88	Calculated Property
Pvap	32.65	kPa	458.63	Calculated Property
Pvap	39.85	kPa	465.39	Calculated Property
Pvap	48.28	kPa	472.14	Calculated Property
Pvap	58.08	kPa	478.89	Calculated Property
Pvap	69.41	kPa	485.65	Calculated Property
Pvap	82.44	kPa	492.40	Calculated Property
Pvap	97.32	kPa	499.15	Calculated Property
Pvap	114.24	kPa	505.91	Calculated Property
Pvap	133.39	kPa	512.66	Calculated Property
Pvap	[26.54; 133.39]	kPa	[451.88; 512.66]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.39909e+01
Coefficient B			-3.66858e+03
Coefficient C			-1.09414e+02
Reference			Handley, Harrop, et al., 1964
Comment			Coefficents calculated by NIST from author's data.
Temperature range, min.			451.88
Temperature range, max.			512.66
Pvap	26.54	kPa	451.88	Calculated Property
Pvap	32.65	kPa	458.63	Calculated Property
Pvap	39.85	kPa	465.39	Calculated Property
Pvap	48.28	kPa	472.14	Calculated Property
Pvap	58.08	kPa	478.89	Calculated Property
Pvap	69.41	kPa	485.65	Calculated Property
Pvap	82.44	kPa	492.40	Calculated Property
Pvap	97.32	kPa	499.15	Calculated Property
Pvap	114.24	kPa	505.91	Calculated Property
Pvap	133.39	kPa	512.66	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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