Chemical Properties of Phenol, 2-butyl- (CAS 3180-09-4)

InChI

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

InChI Key

GJYCVCVHRSWLNY-UHFFFAOYSA-N

Formula

C10H14O

SMILES

CCCCc1ccccc1O

Molecular Weight¹

150.22

CAS

3180-09-4

Other Names

• 1-Hydroxy-2-n-butylbenzene
• 2-Butylphenol
• 2-n-Butylphenol
• Phenol, o-butyl-
• UN 2228
• UN 2229
• o-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_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).
• 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	0.5839		Relay (1.0) Calculated Property
ΔfG°	-8.89	kJ/mol	Joback Calculated Property
ΔfH°gas	-180.00	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	21.48	kJ/mol	Joback Calculated Property
ΔvapH°	67.87	kJ/mol	Relay (1.0) Calculated Property
IE	8.23	eV	Relay (1.0) Calculated Property
log10WS	-2.45		Relay (1.0) Calculated Property
logPoct/wat	2.735		Crippen Calculated Property
McVol	133.870	ml/mol	McGowan Calculated Property
Pc	3468.36	kPa	Joback Calculated Property
Tboil	[497.75; 511.15]	K
Tboil	499.15 ± 3.00	K	NIST
Tboil	497.75 ± 3.00	K	NIST
Tboil	506.65 ± 4.00	K	NIST
Tboil	508.15 ± 3.00	K	NIST
Tboil	501.65 ± 4.00	K	NIST
Tboil	506.65 ± 4.00	K	NIST
Tboil	511.15 ± 3.00	K	NIST
Tboil	508.65 ± 3.00	K	NIST
Tboil	508.65 ± 3.00	K	NIST
Tc	724.95	K	Relay (1.0) Calculated Property
Tfus	253.15 ± 2.00	K	NIST
Vc	0.475	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ΔvapH	[47.00; 55.10]	kJ/mol	[451.00; 468.00]
ΔvapH	52.90	kJ/mol	451.00	NIST
ΔvapH	51.00	kJ/mol	451.00	NIST
ΔvapH	47.00	kJ/mol	451.00	NIST
ΔvapH	55.10	kJ/mol	468.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[177.25; 439.13]	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			-4.90270e+01
Coefficient B			1.02952e+00
Coefficient C			-8.07760e-04
Coefficient D			2.66400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	177.25	J/mol×K	273.00	Calculated Property
Cp,gas	225.89	J/mol×K	353.78	Calculated Property
Cp,gas	267.68	J/mol×K	434.56	Calculated Property
Cp,gas	303.46	J/mol×K	515.33	Calculated Property
Cp,gas	334.08	J/mol×K	596.11	Calculated Property
Cp,gas	360.37	J/mol×K	676.89	Calculated Property
Cp,gas	383.17	J/mol×K	757.67	Calculated Property
Cp,gas	403.34	J/mol×K	838.44	Calculated Property
Cp,gas	421.71	J/mol×K	919.22	Calculated Property
Cp,gas	439.13	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.1653019; 0.0000671]	Pa×s	[253.15; 527.91]	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			-1.68039e+01
Coefficient B			3.79824e+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.			253.15
Temperature range, max.			527.91
η	0.1653019	Pa×s	253.15	Calculated Property
η	0.0328879	Pa×s	283.68	Calculated Property
η	0.0089549	Pa×s	314.21	Calculated Property
η	0.0030701	Pa×s	344.74	Calculated Property
η	0.0012528	Pa×s	375.26	Calculated Property
η	0.0005850	Pa×s	405.79	Calculated Property
η	0.0003039	Pa×s	436.32	Calculated Property
η	0.0001720	Pa×s	466.85	Calculated Property
η	0.0001044	Pa×s	497.38	Calculated Property
η	0.0000671	Pa×s	527.91	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[386.52; 533.10]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.57341e+01
Coefficient B			-4.69734e+03
Coefficient C			-8.24160e+01
Temperature range, min.			386.52
Temperature range, max.			533.10
Pvap	1.33	kPa	386.52	Calculated Property
Pvap	2.92	kPa	402.81	Calculated Property
Pvap	5.94	kPa	419.09	Calculated Property
Pvap	11.31	kPa	435.38	Calculated Property
Pvap	20.34	kPa	451.67	Calculated Property
Pvap	34.82	kPa	467.95	Calculated Property
Pvap	57.06	kPa	484.24	Calculated Property
Pvap	89.96	kPa	500.53	Calculated Property
Pvap	137.09	kPa	516.81	Calculated Property
Pvap	202.63	kPa	533.10	Calculated Property

Similar Compounds

Find more compounds similar to Phenol, 2-butyl-.

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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