Chemical Properties of 3-Hexanol, 4-methyl- (CAS 615-29-2)

InChI

InChI=1S/C7H16O/c1-4-6(3)7(8)5-2/h6-8H,4-5H2,1-3H3

InChI Key

NZPGYIBESMMUFU-UHFFFAOYSA-N

Formula

C7H16O

SMILES

CCC(C)C(O)CC

Molecular Weight¹

116.20

CAS

615-29-2

Other Names

• 2-Ethyl-3-pentanol
• 3-Methyl-4-hexanol
• 3-Pentanol, 2-ethyl-
• 4-Methyl-3-hexanol
• 4-Methylhexan-3-ol

• 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).
• 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 : 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	0.5566		Relay (1.0) Calculated Property
ΔfG°	-133.64	kJ/mol	Joback Calculated Property
ΔfH°gas	-367.26	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	10.93	kJ/mol	Joback Calculated Property
ΔvapH°	57.65	kJ/mol	Relay (1.0) Calculated Property
IE	9.59	eV	Relay (1.0) Calculated Property
log10WS	-1.23		Relay (1.0) Calculated Property
logPoct/wat	1.803		Crippen Calculated Property
McVol	115.360	ml/mol	McGowan Calculated Property
Pc	3149.09	kPa	Joback Calculated Property
Inp	[721.00; 721.00]
Inp	721.00		NIST
Inp	721.00		NIST
Inp	721.00		NIST
I	1583.00		NIST
Tboil	422.65 ± 3.00	K	NIST
Tc	602.82	K	Relay (1.0) Calculated Property
Tfus	220.63	K	Relay (1.0) Calculated Property
Vc	0.418	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[248.03; 308.82]	J/mol×K	[450.86; 618.05]
Cp,gas	248.03	J/mol×K	450.86	Joback Calculated Property
Cp,gas	259.20	J/mol×K	478.73	Joback Calculated Property
Cp,gas	269.95	J/mol×K	506.59	Joback Calculated Property
Cp,gas	280.27	J/mol×K	534.46	Joback Calculated Property
Cp,gas	290.18	J/mol×K	562.32	Joback Calculated Property
Cp,gas	299.70	J/mol×K	590.19	Joback Calculated Property
Cp,gas	308.82	J/mol×K	618.05	Joback Calculated Property
η	[0.0001931; 0.4386858]	Pa×s	[199.47; 450.86]
η	0.4386858	Pa×s	199.47	Joback Calculated Property
η	0.0395574	Pa×s	241.37	Joback Calculated Property
η	0.0072680	Pa×s	283.27	Joback Calculated Property
η	0.0020664	Pa×s	325.16	Joback Calculated Property
η	0.0007829	Pa×s	367.06	Joback Calculated Property
η	0.0003619	Pa×s	408.96	Joback Calculated Property
η	0.0001931	Pa×s	450.86	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[314.84; 447.16]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.72599e+01
Coefficient B			-5.34105e+03
Coefficient C			-1.50000e-01
Temperature range, min.			314.84
Temperature range, max.			447.16
Pvap	1.33	kPa	314.84	Calculated Property
Pvap	2.84	kPa	329.54	Calculated Property
Pvap	5.68	kPa	344.24	Calculated Property
Pvap	10.74	kPa	358.95	Calculated Property
Pvap	19.29	kPa	373.65	Calculated Property
Pvap	33.16	kPa	388.35	Calculated Property
Pvap	54.79	kPa	403.05	Calculated Property
Pvap	87.37	kPa	417.76	Calculated Property
Pvap	134.98	kPa	432.46	Calculated Property
Pvap	202.65	kPa	447.16	Calculated Property

Similar Compounds

Find more compounds similar to 3-Hexanol, 4-methyl-.

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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