Chemical Properties of 1,2-Hexanediol (CAS 6920-22-5)

InChI

InChI=1S/C6H14O2/c1-2-3-4-6(8)5-7/h6-8H,2-5H2,1H3

InChI Key

FHKSXSQHXQEMOK-UHFFFAOYSA-N

Formula

C6H14O2

SMILES

CCCCC(O)CO

Molecular Weight¹

118.17

CAS

6920-22-5

Other Names

• DL-hexane-1,2-diol

• ω : Acentric Factor.
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• 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_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).
• 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_l : Liquid Density (kg/m³).
• I_np : Non-polar retention indices.
• γ : Surface Tension (N/m).
• 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	0.7341		Relay (1.0) Calculated Property
ΔcH°liquid	-3784.80 ± 7.10	kJ/mol	NIST
ΔfG°	-276.44	kJ/mol	Joback Calculated Property
ΔfH°gas	-490.10 ± 7.10	kJ/mol	NIST
ΔfH°liquid	-577.10 ± 7.10	kJ/mol	NIST
ΔfusH°	15.95	kJ/mol	Joback Calculated Property
ΔvapH°	[78.70; 87.00]	kJ/mol
ΔvapH°	78.70 ± 0.30	kJ/mol	NIST
ΔvapH°	87.00 ± 0.30	kJ/mol	NIST
ΔvapH°	87.00	kJ/mol	NIST
IE	10.15	eV	Relay (1.0) Calculated Property
log10WS	-0.31		Relay (1.0) Calculated Property
logPoct/wat	0.530		Crippen Calculated Property
McVol	107.140	ml/mol	McGowan Calculated Property
Pc	3896.50	kPa	Joback Calculated Property
Inp	[1145.00; 1162.00]
Inp	1145.00		NIST
Inp	1146.00		NIST
Inp	1146.00		NIST
Inp	1147.00		NIST
Inp	1147.00		NIST
Inp	1147.00		NIST
Inp	1148.00		NIST
Inp	1149.00		NIST
Inp	1150.00		NIST
Inp	1153.00		NIST
Inp	Outlier 1162.00		NIST
Inp	1145.00		NIST
Inp	1147.00		NIST
Inp	Outlier 1162.00		NIST
Tboil	[496.65; 496.70]	K
Tboil	496.70	K	NIST
Tboil	496.65 ± 4.00	K	NIST
Tc	681.78	K	Relay (1.0) Calculated Property
Tfus	279.13	K	Relay (1.0) Calculated Property
Vc	0.397	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
η	[0.0147900; 0.0834100]	Pa×s	[293.15; 323.15]
η	0.0834100	Pa×s	293.15	Excess molar volume and viscosity deviation for binary mixtures of polyethylene glycol dimethyl ether 250 with 1,2-alkanediols (C3 C6) at T = (293.15 to 323.15) K
η	0.0422500	Pa×s	303.15	Excess molar volume and viscosity deviation for binary mixtures of polyethylene glycol dimethyl ether 250 with 1,2-alkanediols (C3 C6) at T = (293.15 to 323.15) K
η	0.0241200	Pa×s	313.15	Excess molar volume and viscosity deviation for binary mixtures of polyethylene glycol dimethyl ether 250 with 1,2-alkanediols (C3 C6) at T = (293.15 to 323.15) K
η	0.0147900	Pa×s	323.15	Excess molar volume and viscosity deviation for binary mixtures of polyethylene glycol dimethyl ether 250 with 1,2-alkanediols (C3 C6) at T = (293.15 to 323.15) K
ρl	[937.06; 958.87]	kg/m3	[283.15; 313.15]
ρl	958.85	kg/m3	283.15	Excess volumes and excess heat capacities for alkanediol + water systems in the temperature interval (283.15-313.15) K
ρl	958.87	kg/m3	283.15	Effect of temperature on the volumetric properties of dilute aqueous solutions of 1,2-hexanediol, 1,5-hexanediol, 1,6-hexanediol, and 2,5-hexanediol
ρl	955.23	kg/m3	288.15	Effect of temperature on the volumetric properties of dilute aqueous solutions of 1,2-hexanediol, 1,5-hexanediol, 1,6-hexanediol, and 2,5-hexanediol
ρl	951.73	kg/m3	293.15	Excess volumes and excess heat capacities for alkanediol + water systems in the temperature interval (283.15-313.15) K
ρl	951.68	kg/m3	293.15	Effect of temperature on the volumetric properties of dilute aqueous solutions of 1,2-hexanediol, 1,5-hexanediol, 1,6-hexanediol, and 2,5-hexanediol
ρl	948.10	kg/m3	298.15	Excess volumes and excess heat capacities for alkanediol + water systems in the temperature interval (283.15-313.15) K
ρl	948.08	kg/m3	298.15	Effect of temperature on the volumetric properties of dilute aqueous solutions of 1,2-hexanediol, 1,5-hexanediol, 1,6-hexanediol, and 2,5-hexanediol
ρl	944.44	kg/m3	303.15	Excess volumes and excess heat capacities for alkanediol + water systems in the temperature interval (283.15-313.15) K
ρl	944.54	kg/m3	303.15	Effect of temperature on the volumetric properties of dilute aqueous solutions of 1,2-hexanediol, 1,5-hexanediol, 1,6-hexanediol, and 2,5-hexanediol
ρl	940.88	kg/m3	308.15	Effect of temperature on the volumetric properties of dilute aqueous solutions of 1,2-hexanediol, 1,5-hexanediol, 1,6-hexanediol, and 2,5-hexanediol
ρl	937.06	kg/m3	313.15	Excess volumes and excess heat capacities for alkanediol + water systems in the temperature interval (283.15-313.15) K
γ	[0.02; 0.02]	N/m	[283.15; 308.15]
γ	0.02	N/m	283.15	Effect of temperature on the surface tension of diluted aqueous solutions of 1,2-hexanediol, 1,5-hexanediol, 1,6-hexanediol and 2,5-hexanediol
γ	0.02	N/m	288.15	Effect of temperature on the surface tension of diluted aqueous solutions of 1,2-hexanediol, 1,5-hexanediol, 1,6-hexanediol and 2,5-hexanediol
γ	0.02	N/m	293.15	Effect of temperature on the surface tension of diluted aqueous solutions of 1,2-hexanediol, 1,5-hexanediol, 1,6-hexanediol and 2,5-hexanediol
γ	0.02	N/m	298.15	Effect of temperature on the surface tension of diluted aqueous solutions of 1,2-hexanediol, 1,5-hexanediol, 1,6-hexanediol and 2,5-hexanediol
γ	0.02	N/m	303.15	Effect of temperature on the surface tension of diluted aqueous solutions of 1,2-hexanediol, 1,5-hexanediol, 1,6-hexanediol and 2,5-hexanediol
γ	0.02	N/m	308.15	Effect of temperature on the surface tension of diluted aqueous solutions of 1,2-hexanediol, 1,5-hexanediol, 1,6-hexanediol and 2,5-hexanediol

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[157.45; 366.75]	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			6.33400e+00
Coefficient B			6.47720e-01
Coefficient C			-3.66600e-04
Coefficient D			7.93000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	157.45	J/mol×K	273.00	Calculated Property
Cp,gas	193.11	J/mol×K	353.78	Calculated Property
Cp,gas	225.08	J/mol×K	434.56	Calculated Property
Cp,gas	253.62	J/mol×K	515.33	Calculated Property
Cp,gas	278.97	J/mol×K	596.11	Calculated Property
Cp,gas	301.39	J/mol×K	676.89	Calculated Property
Cp,gas	321.13	J/mol×K	757.67	Calculated Property
Cp,gas	338.44	J/mol×K	838.44	Calculated Property
Cp,gas	353.56	J/mol×K	919.22	Calculated Property
Cp,gas	366.75	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[384.72; 520.30]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.66265e+01
Coefficient B			-4.98928e+03
Coefficient C			-7.93580e+01
Temperature range, min.			384.72
Temperature range, max.			520.30
Pvap	1.33	kPa	384.72	Calculated Property
Pvap	2.87	kPa	399.78	Calculated Property
Pvap	5.78	kPa	414.85	Calculated Property
Pvap	10.96	kPa	429.91	Calculated Property
Pvap	19.70	kPa	444.98	Calculated Property
Pvap	33.80	kPa	460.04	Calculated Property
Pvap	55.66	kPa	475.11	Calculated Property
Pvap	88.38	kPa	490.17	Calculated Property
Pvap	135.80	kPa	505.24	Calculated Property
Pvap	202.64	kPa	520.30	Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Hexanediol.

Mixtures

• 1,2-Hexanediol + Water
• Carbon dioxide + 1,2-Hexanediol

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Effect of temperature on the surface tension of diluted aqueous solutions of 1,2-hexanediol, 1,5-hexanediol, 1,6-hexanediol and 2,5-hexanediol
• Liquid phase behavior of hexafluorophosphate ionic liquids with polyhydric alcohols
• Excess volumes and excess heat capacities for alkanediol + water systems in the temperature interval (283.15-313.15) K
• Phase behavior of imidazolium and phosphonium tetrafluoroborates with dihydroxy alcohols
• Effect of temperature on the volumetric properties of dilute aqueous solutions of 1,2-hexanediol, 1,5-hexanediol, 1,6-hexanediol, and 2,5-hexanediol
• Excess molar volume and viscosity deviation for binary mixtures of polyethylene glycol dimethyl ether 250 with 1,2-alkanediols (C3 C6) at T = (293.15 to 323.15) K
• Solubility comparison and partial molar volumes of 1,2-hexanediol before and after end-group modification by methyl oxalyl chloride and ethyl oxalyl monochloride in supercritical CO2
• Thermodynamic Properties of Mixtures Containing Ionic Liquids.4.LLE of Binary Mixtures of [C2MIM][NTf2] with Propan-1-ol, Butan-1-ol, and Pentan-1-ol and [C4MIM][NTf2] with Cyclohexanol and 1,2-Hexanediol Including Studies of the Influence of Small Amounts of Water
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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