Chemical Properties of 2-Pentanol, 3-methyl- (CAS 565-60-6)

InChI

InChI=1S/C6H14O/c1-4-5(2)6(3)7/h5-7H,4H2,1-3H3

InChI Key

ZXNBBWHRUSXUFZ-UHFFFAOYSA-N

Formula

C6H14O

SMILES

CCC(C)C(C)O

Molecular Weight¹

102.17

CAS

565-60-6

Other Names

• 3-Methyl-2-pentanol
• 3-Methyl-4-pentanol
• 3-Methylpentan-2-ol

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid phase 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).
• I_np : Non-polar retention indices.
• I_p : 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	0.5288		Relay (1.0) Calculated Property
ΔfG°	-142.06	kJ/mol	Joback Calculated Property
ΔfH°gas	-355.15	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	8.34	kJ/mol	Joback Calculated Property
ΔvapH°	58.20 ± 0.30	kJ/mol	NIST
IE	9.73	eV	Relay (1.0) Calculated Property
log10WS	-0.72		Aq. Solubility Prediction
logPoct/wat	1.413		Crippen Calculated Property
McVol	101.270	ml/mol	McGowan Calculated Property
Pc	3517.91	kPa	Joback Calculated Property
Inp	[754.00; 797.00]
Inp	780.00		NIST
Inp	780.80		NIST
Inp	769.00		NIST
Inp	778.00		NIST
Inp	754.00		NIST
Inp	762.00		NIST
Inp	754.00		NIST
Inp	792.00		NIST
Inp	797.00		NIST
Inp	760.00		NIST
Inp	797.00		NIST
Inp	767.00		NIST
Inp	754.00		NIST
Ip	[1160.00; 1214.00]
Ip	1212.00		NIST
Ip	1214.00		NIST
Ip	1160.00		NIST
Ip	1160.00		NIST
Ip	1202.00		NIST
Ip	1160.00		NIST
Tboil	[405.15; 407.47]	K
Tboil	405.70	K	NIST
Tboil	407.15 ± 2.00	K	NIST
Tboil	407.47 ± 0.20	K	NIST
Tboil	407.15 ± 1.00	K	NIST
Tboil	405.15 ± 3.00	K	NIST
Tboil	406.15 ± 2.00	K	NIST
Tboil	407.15 ± 2.00	K	NIST
Tboil	407.15 ± 2.00	K	NIST
Tc	578.62	K	Relay (1.0) Calculated Property
Tfus	197.96	K	Relay (1.0) Calculated Property
Vc	0.365	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	275.89	J/mol×K	298.15	NIST
ΔvapH	[54.40; 60.40]	kJ/mol	[275.00; 361.50]
ΔvapH	60.40	kJ/mol	275.00	NIST
ΔvapH	54.80	kJ/mol	352.00	NIST
ΔvapH	54.40	kJ/mol	361.50	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[144.64; 348.62]	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			-6.39000e-01
Coefficient B			6.19660e-01
Coefficient C			-3.39400e-04
Coefficient D			6.90000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	144.64	J/mol×K	273.00	Calculated Property
Cp,gas	179.16	J/mol×K	353.78	Calculated Property
Cp,gas	210.21	J/mol×K	434.56	Calculated Property
Cp,gas	238.00	J/mol×K	515.33	Calculated Property
Cp,gas	262.76	J/mol×K	596.11	Calculated Property
Cp,gas	284.70	J/mol×K	676.89	Calculated Property
Cp,gas	304.03	J/mol×K	757.67	Calculated Property
Cp,gas	320.99	J/mol×K	838.44	Calculated Property
Cp,gas	335.78	J/mol×K	919.22	Calculated Property
Cp,gas	348.62	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.6544822; 0.0002700]	Pa×s	[188.20; 417.47]	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			-1.46143e+01
Coefficient B			2.67063e+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.			188.20
Temperature range, max.			417.47
η	0.6544822	Pa×s	188.20	Calculated Property
η	0.1205492	Pa×s	213.67	Calculated Property
η	0.0318390	Pa×s	239.15	Calculated Property
η	0.0108662	Pa×s	264.62	Calculated Property
η	0.0044791	Pa×s	290.10	Calculated Property
η	0.0021303	Pa×s	315.57	Calculated Property
η	0.0011322	Pa×s	341.05	Calculated Property
η	0.0006570	Pa×s	366.52	Calculated Property
η	0.0004092	Pa×s	392.00	Calculated Property
η	0.0002700	Pa×s	417.47	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[313.88; 430.01]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.45458e+01
Coefficient B			-3.04350e+03
Coefficient C			-1.00427e+02
Temperature range, min.			313.88
Temperature range, max.			430.01
Pvap	1.33	kPa	313.88	Calculated Property
Pvap	3.00	kPa	326.78	Calculated Property
Pvap	6.20	kPa	339.69	Calculated Property
Pvap	11.90	kPa	352.59	Calculated Property
Pvap	21.41	kPa	365.49	Calculated Property
Pvap	36.48	kPa	378.40	Calculated Property
Pvap	59.29	kPa	391.30	Calculated Property
Pvap	92.47	kPa	404.20	Calculated Property
Pvap	139.09	kPa	417.11	Calculated Property
Pvap	202.64	kPa	430.01	Calculated Property

Similar Compounds

Find more compounds similar to 2-Pentanol, 3-methyl-.

Sources

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

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