Chemical Properties of 3-Hexanol (CAS 623-37-0)

InChI

InChI=1S/C6H14O/c1-3-5-6(7)4-2/h6-7H,3-5H2,1-2H3

InChI Key

ZOCHHNOQQHDWHG-UHFFFAOYSA-N

Formula

C6H14O

SMILES

CCCC(O)CC

Molecular Weight¹

102.17

CAS

623-37-0

Other Names

• 3-hydroxyhexane
• C2H5CH(OH)C3H7
• Ethylpropylcarbinol
• Hexan-3-ol
• Hexanol-(3)
• ethyl propyl carbinol

• 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_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).
• ρ_c : Critical density (kg/m³).
• 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
ΔfG°	-139.62	kJ/mol	Joback Calculated Property
ΔfH°gas	-332.80 ± 2.20	kJ/mol	NIST
ΔfH°liquid	-390.30 ± 0.88	kJ/mol	NIST
ΔfusH°	11.86	kJ/mol	Joback Calculated Property
ΔvapH°	58.60 ± 0.40	kJ/mol	NIST
IE	[9.63; 10.15]	eV
IE	9.63 ± 0.03	eV	NIST
IE	10.15	eV	NIST
log10WS	[-0.80; -0.80]
log10WS	-0.80		Aq. Sol...
log10WS	-0.80		Estimat...
logPoct/wat	1.557		Crippen Calculated Property
McVol	101.270	ml/mol	McGowan Calculated Property
Pc	[3360.00; 3360.00]	kPa
Pc	3360.00 ± 20.00	kPa	NIST
Pc	3360.00 ± 50.00	kPa	NIST
ρc	[266.68; 266.68]	kg/m3
ρc	266.68 ± 2.04	kg/m3	NIST
ρc	266.68 ± 6.13	kg/m3	NIST
Inp	[761.00; 815.00]
Inp	780.20		NIST
Inp	774.80		NIST
Inp	778.50		NIST
Inp	782.60		NIST
Inp	783.80		NIST
Inp	769.00		NIST
Inp	779.00		NIST
Inp	785.00		NIST
Inp	783.00		NIST
Inp	781.00		NIST
Inp	Outlier 761.00		NIST
Inp	784.00		NIST
Inp	784.00		NIST
Inp	783.00		NIST
Inp	785.00		NIST
Inp	801.30		NIST
Inp	802.00		NIST
Inp	797.00		NIST
Inp	785.00		NIST
Inp	797.00		NIST
Inp	Outlier 811.00		NIST
Inp	806.00		NIST
Inp	776.00		NIST
Inp	776.00		NIST
Inp	784.00		NIST
Inp	784.00		NIST
Inp	791.00		NIST
Inp	788.00		NIST
Inp	780.00		NIST
Inp	785.00		NIST
Inp	785.00		NIST
Inp	793.00		NIST
Inp	780.00		NIST
Inp	762.00		NIST
Inp	780.00		NIST
Inp	769.00		NIST
Inp	790.00		NIST
Inp	776.00		NIST
Inp	795.00		NIST
Inp	Outlier 815.00		NIST
Inp	801.30		NIST
Inp	784.00		NIST
Inp	785.00		NIST
Inp	780.20		NIST
Inp	769.00		NIST
Inp	Outlier 761.00		NIST
Inp	797.00		NIST
I	[1180.00; 1222.00]
I	1206.00		NIST
I	1207.00		NIST
I	1189.00		NIST
I	1184.00		NIST
I	1180.00		NIST
I	1193.00		NIST
I	1197.00		NIST
I	Outlier 1222.00		NIST
I	1198.00		NIST
I	1211.00		NIST
I	1207.00		NIST
I	1204.00		NIST
I	1211.00		NIST
I	1211.00		NIST
I	1190.00		NIST
I	1192.00		NIST
I	1189.00		NIST
I	1200.00		NIST
I	1202.00		NIST
I	1194.00		NIST
I	1207.00		NIST
I	1185.00		NIST
I	1197.00		NIST
I	1190.00		NIST
I	1192.00		NIST
I	1207.00		NIST
I	1190.00		NIST
I	Outlier 1222.00		NIST
Tboil	[388.55; 409.00]	K
Tboil	408.20	K	NIST
Tboil	406.15 ± 2.00	K	NIST
Tboil	407.40 ± 1.50	K	NIST
Tboil	406.65 ± 2.00	K	NIST
Tboil	408.15 ± 2.00	K	NIST
Tboil	408.75 ± 0.50	K	NIST
Tboil	408.15 ± 2.00	K	NIST
Tboil	408.65 ± 1.00	K	NIST
Tboil	406.65 ± 2.00	K	NIST
Tboil	406.15 ± 2.00	K	NIST
Tboil	408.65 ± 2.00	K	NIST
Tboil	409.00 ± 3.00	K	NIST
Tboil	407.90 ± 1.00	K	NIST
Tboil	408.67 ± 0.20	K	NIST
Tboil	406.65 ± 2.00	K	NIST
Tboil	408.00 ± 6.00	K	NIST
Tboil	407.15 ± 2.00	K	NIST
Tboil	407.15 ± 2.00	K	NIST
Tboil	Outlier 388.55 ± 0.40	K	NIST
Tboil	404.15 ± 3.00	K	NIST
Tboil	406.15 ± 2.00	K	NIST
Tboil	407.15 ± 2.00	K	NIST
Tboil	408.15 ± 2.00	K	NIST
Tc	[582.20; 582.58]	K
Tc	582.40 ± 0.50	K	NIST
Tc	582.20 ± 0.80	K	NIST
Tc	582.58	K	NIST
Tc	582.48 ± 0.30	K	NIST
Tfus	203.20	K	Joback Calculated Property
Vc	0.383	m3/kmol	NIST

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[207.74; 261.25]	J/mol×K	[428.42; 592.97]
Cp,gas	207.74	J/mol×K	428.42	Joback Calculated Property
Cp,gas	217.54	J/mol×K	455.85	Joback Calculated Property
Cp,gas	226.97	J/mol×K	483.27	Joback Calculated Property
Cp,gas	236.05	J/mol×K	510.70	Joback Calculated Property
Cp,gas	244.78	J/mol×K	538.12	Joback Calculated Property
Cp,gas	253.18	J/mol×K	565.55	Joback Calculated Property
Cp,gas	261.25	J/mol×K	592.97	Joback Calculated Property
Cp,liquid	[269.27; 286.20]	J/mol×K	[298.00; 298.15]
Cp,liquid	286.20	J/mol×K	298.00	NIST
Cp,liquid	269.27	J/mol×K	298.15	NIST
η	[0.0015800; 0.0035200]	Pa×s	[303.15; 323.15]
η	0.0035200	Pa×s	303.15	Density...
η	0.0023400	Pa×s	313.15	Density...
η	0.0015800	Pa×s	323.15	Density...
ΔvapH	[46.10; 57.50]	kJ/mol	[298.00; 382.00]
ΔvapH	57.40	kJ/mol	298.00	NIST
ΔvapH	57.50	kJ/mol	300.00	NIST
ΔvapH	46.40	kJ/mol	353.00	NIST
ΔvapH	51.50	kJ/mol	371.00	NIST
ΔvapH	46.10	kJ/mol	382.00	NIST
Pvap	[0.08; 1.36]	kPa	[280.21; 316.48]
Pvap	0.08	kPa	280.21	Vapor P...
Pvap	0.09	kPa	280.41	Vapor P...
Pvap	0.11	kPa	283.54	Vapor P...
Pvap	0.12	kPa	284.32	Vapor P...
Pvap	0.17	kPa	288.55	Vapor P...
Pvap	0.25	kPa	293.36	Vapor P...
Pvap	0.26	kPa	293.48	Vapor P...
Pvap	0.35	kPa	297.37	Vapor P...
Pvap	0.37	kPa	298.18	Vapor P...
Pvap	0.41	kPa	299.62	Vapor P...
Pvap	0.55	kPa	303.49	Vapor P...
Pvap	0.69	kPa	306.58	Vapor P...
Pvap	0.75	kPa	307.60	Vapor P...
Pvap	0.92	kPa	310.61	Vapor P...
Pvap	1.00	kPa	311.78	Vapor P...
Pvap	1.14	kPa	313.79	Vapor P...
Pvap	1.36	kPa	316.48	Vapor P...

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[308.83; 430.69]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.52054e+01
Coefficient B			-3.58018e+03
Coefficient C			-6.88330e+01
Temperature range, min.			308.83
Temperature range, max.			430.69
Pvap	1.33	kPa	308.83	Calculated Property
Pvap	2.96	kPa	322.37	Calculated Property
Pvap	6.05	kPa	335.91	Calculated Property
Pvap	11.56	kPa	349.45	Calculated Property
Pvap	20.79	kPa	362.99	Calculated Property
Pvap	35.52	kPa	376.53	Calculated Property
Pvap	58.00	kPa	390.07	Calculated Property
Pvap	91.03	kPa	403.61	Calculated Property
Pvap	137.94	kPa	417.15	Calculated Property
Pvap	202.64	kPa	430.69	Calculated Property

Similar Compounds

Find more compounds similar to 3-Hexanol.

Mixtures

• 3-Hexanol + 1-Butanamine

Sources

• Crippen Method
• Vapor Pressure and Its Temperature Dependence of 28 Organic Compounds: Cyclic Amines, Cyclic Ethers, and Cyclic and Open Chain Secondary Alcohols
• Density and Viscosity Measurement of n-Butylamine with Hexyl Alcohol Isomer Binary Systems
• Joback Method
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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