Chemical Properties of Cyclohexane, hexyl- (CAS 4292-75-5)

InChI

InChI=1S/C12H24/c1-2-3-4-6-9-12-10-7-5-8-11-12/h12H,2-11H2,1H3

InChI Key

QHWAQXOSHHKCFK-UHFFFAOYSA-N

Formula

C12H24

SMILES

CCCCCCC1CCCCC1

Molecular Weight¹

168.32

CAS

4292-75-5

Other Names

• 1-Hexylcyclohexane
• 1-cyclohexylhexane
• Cyclohexane, n-hexyl-
• hexane, 1-cyclohexyl-
• hexylcyclohexane
• n-hexylcyclohexane

• 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_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_l : Liquid 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).
• Z_c : Critical Compressibility.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.4560		KDB
ΔcH°liquid	-7897.80 ± 1.60	kJ/mol	NIST
ΔfG°	74.61	kJ/mol	Joback Calculated Property
ΔfH°gas	-254.40 ± 1.80	kJ/mol	NIST
ΔfusH°	18.67	kJ/mol	Joback Calculated Property
ΔvapH°	[55.90; 59.90]	kJ/mol
ΔvapH°	55.90 ± 0.50	kJ/mol	NIST
ΔvapH°	58.95 ± 0.50	kJ/mol	NIST
ΔvapH°	59.00 ± 0.50	kJ/mol	NIST
ΔvapH°	59.90	kJ/mol	NIST
IE	9.68	eV	Relay (1.0) Calculated Property
log10WS	-6.16		Relay (1.0) Calculated Property
logPoct/wat	4.537		Crippen Calculated Property
McVol	169.080	ml/mol	McGowan Calculated Property
Pc	2130.00	kPa	KDB
Inp	[1222.00; 1259.00]
Inp	1246.00		NIST
Inp	Outlier 1222.00		NIST
Inp	1236.00		NIST
Inp	1234.00		NIST
Inp	1243.00		NIST
Inp	1243.00		NIST
Inp	Outlier 1259.00		NIST
Inp	1233.90		NIST
Inp	1237.70		NIST
Inp	1239.50		NIST
Inp	1237.70		NIST
Inp	1237.10		NIST
Inp	1224.00		NIST
Inp	1233.90		NIST
Inp	1237.70		NIST
Inp	1239.50		NIST
Inp	1237.70		NIST
Inp	1237.10		NIST
Inp	1231.08		NIST
Inp	1235.37		NIST
Inp	1238.08		NIST
Inp	1237.21		NIST
Inp	1241.62		NIST
Inp	1244.73		NIST
Inp	1247.00		NIST
Inp	1234.00		NIST
Inp	1229.00		NIST
Inp	1233.00		NIST
Inp	1233.90		NIST
Inp	1224.00		NIST
Inp	1237.10		NIST
Inp	1241.62		NIST
Inp	1246.00		NIST
Inp	1247.00		NIST
Inp	1233.00		NIST
Inp	1234.00		NIST
I	[1287.60; 1322.00]
I	1312.00		NIST
I	1322.00		NIST
I	1302.00		NIST
I	1298.60		NIST
I	1304.10		NIST
I	1309.40		NIST
I	1315.10		NIST
I	1320.40		NIST
I	1287.60		NIST
I	1293.20		NIST
I	1312.00		NIST
Tboil	[493.15; 497.93]	K
Tboil	497.90	K	KDB
Tboil	497.93 ± 0.20	K	NIST
Tboil	497.93 ± 0.50	K	NIST
Tboil	497.80 ± 0.60	K	NIST
Tboil	493.15 ± 2.00	K	NIST
Tboil	494.15 ± 2.00	K	NIST
Tc	691.80	K	KDB
Tfus	[224.90; 264.00]	K
Tfus	224.90	K	Melting Point, Enthalpy of Fusion, and Heat Capacity Measurements of Several Polyfunctional, Industrially Important Compounds by Differential Scanning Calorimetry
Tfus	264.00	K	KDB
Tfus	225.64 ± 0.20	K	NIST
Tfus	225.64 ± 0.50	K	NIST
Vc	0.640	m3/kmol	KDB
Zc	0.2371820		KDB

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[395.30; 506.28]	J/mol×K	[493.71; 686.04]
Cp,gas	395.30	J/mol×K	493.71	Joback Calculated Property
Cp,gas	416.21	J/mol×K	525.77	Joback Calculated Property
Cp,gas	436.11	J/mol×K	557.82	Joback Calculated Property
Cp,gas	455.05	J/mol×K	589.88	Joback Calculated Property
Cp,gas	473.03	J/mol×K	621.93	Joback Calculated Property
Cp,gas	490.10	J/mol×K	653.99	Joback Calculated Property
Cp,gas	506.28	J/mol×K	686.04	Joback Calculated Property
η	[0.0002340; 0.0082624]	Pa×s	[232.38; 493.71]
η	0.0082624	Pa×s	232.38	Joback Calculated Property
η	0.0028546	Pa×s	275.94	Joback Calculated Property
η	0.0013177	Pa×s	319.49	Joback Calculated Property
η	0.0007323	Pa×s	363.04	Joback Calculated Property
η	0.0004615	Pa×s	406.60	Joback Calculated Property
η	0.0003180	Pa×s	450.15	Joback Calculated Property
η	0.0002340	Pa×s	493.71	Joback Calculated Property
ΔvapH	42.84	kJ/mol	497.90	KDB
ρl	[757.30; 811.34]	kg/m3	[288.15; 363.15]
ρl	811.34	kg/m3	288.15	Thermophysical Properties of Binary Mixtures of n-Dodecane with n-Alkylcyclohexanes: Experimental Measurements and Molecular Dynamics Simulations
ρl	807.71	kg/m3	293.15	Densities, Speeds of Sound, and Viscosities of Binary Mixtures of an n-Alkylcyclohexane (n-Propyl-, n-Pentyl-, n-Hexyl-, n-Heptyl, n-Octyl-, n-Nonyl-, n-Decyl-, and n-Dodecyl-) with n-Hexadecane
ρl	810.00	kg/m3	293.15	Volume expansion prediction of supercritical CO 2 + crude oil
ρl	807.76	kg/m3	293.15	Thermophysical Properties of Binary Mixtures of n-Dodecane with n-Alkylcyclohexanes: Experimental Measurements and Molecular Dynamics Simulations
ρl	804.19	kg/m3	298.15	Thermophysical Properties of Binary Mixtures of n-Dodecane with n-Alkylcyclohexanes: Experimental Measurements and Molecular Dynamics Simulations
ρl	800.56	kg/m3	303.15	Densities, Speeds of Sound, and Viscosities of Binary Mixtures of an n-Alkylcyclohexane (n-Propyl-, n-Pentyl-, n-Hexyl-, n-Heptyl, n-Octyl-, n-Nonyl-, n-Decyl-, and n-Dodecyl-) with n-Hexadecane
ρl	800.61	kg/m3	303.15	Thermophysical Properties of Binary Mixtures of n-Dodecane with n-Alkylcyclohexanes: Experimental Measurements and Molecular Dynamics Simulations
ρl	793.40	kg/m3	313.15	Densities, Speeds of Sound, and Viscosities of Binary Mixtures of an n-Alkylcyclohexane (n-Propyl-, n-Pentyl-, n-Hexyl-, n-Heptyl, n-Octyl-, n-Nonyl-, n-Decyl-, and n-Dodecyl-) with n-Hexadecane
ρl	793.43	kg/m3	313.15	Thermophysical Properties of Binary Mixtures of n-Dodecane with n-Alkylcyclohexanes: Experimental Measurements and Molecular Dynamics Simulations
ρl	786.22	kg/m3	323.15	Densities, Speeds of Sound, and Viscosities of Binary Mixtures of an n-Alkylcyclohexane (n-Propyl-, n-Pentyl-, n-Hexyl-, n-Heptyl, n-Octyl-, n-Nonyl-, n-Decyl-, and n-Dodecyl-) with n-Hexadecane
ρl	786.25	kg/m3	323.15	Thermophysical Properties of Binary Mixtures of n-Dodecane with n-Alkylcyclohexanes: Experimental Measurements and Molecular Dynamics Simulations
ρl	779.02	kg/m3	333.15	Densities, Speeds of Sound, and Viscosities of Binary Mixtures of an n-Alkylcyclohexane (n-Propyl-, n-Pentyl-, n-Hexyl-, n-Heptyl, n-Octyl-, n-Nonyl-, n-Decyl-, and n-Dodecyl-) with n-Hexadecane
ρl	779.05	kg/m3	333.15	Thermophysical Properties of Binary Mixtures of n-Dodecane with n-Alkylcyclohexanes: Experimental Measurements and Molecular Dynamics Simulations
ρl	771.80	kg/m3	343.15	Densities, Speeds of Sound, and Viscosities of Binary Mixtures of an n-Alkylcyclohexane (n-Propyl-, n-Pentyl-, n-Hexyl-, n-Heptyl, n-Octyl-, n-Nonyl-, n-Decyl-, and n-Dodecyl-) with n-Hexadecane
ρl	764.60	kg/m3	353.15	Densities, Speeds of Sound, and Viscosities of Binary Mixtures of an n-Alkylcyclohexane (n-Propyl-, n-Pentyl-, n-Hexyl-, n-Heptyl, n-Octyl-, n-Nonyl-, n-Decyl-, and n-Dodecyl-) with n-Hexadecane
ρl	757.30	kg/m3	363.15	Densities, Speeds of Sound, and Viscosities of Binary Mixtures of an n-Alkylcyclohexane (n-Propyl-, n-Pentyl-, n-Hexyl-, n-Heptyl, n-Octyl-, n-Nonyl-, n-Decyl-, and n-Dodecyl-) with n-Hexadecane

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[368.13; 530.33]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.42234e+01
Coefficient B			-4.00982e+03
Coefficient C			-8.03920e+01
Temperature range, min.			368.13
Temperature range, max.			530.33
Pvap	1.33	kPa	368.13	Calculated Property
Pvap	3.03	kPa	386.15	Calculated Property
Pvap	6.29	kPa	404.17	Calculated Property
Pvap	12.09	kPa	422.20	Calculated Property
Pvap	21.75	kPa	440.22	Calculated Property
Pvap	37.01	kPa	458.24	Calculated Property
Pvap	60.00	kPa	476.26	Calculated Property
Pvap	93.26	kPa	494.29	Calculated Property
Pvap	139.72	kPa	512.31	Calculated Property
Pvap	202.66	kPa	530.33	Calculated Property
Pvap	[8.07e-04; 2124.93]	kPa	[265.15; 691.81]	KDB Vapor Pressure Data
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			1.05859e+02
Coefficient B			-1.07629e+04
Coefficient C			-1.30421e+01
Coefficient D			5.52864e-06
Temperature range, min.			265.15
Temperature range, max.			691.81
Pvap	8.07e-04	kPa	265.15	Calculated Property
Pvap	0.05	kPa	312.56	Calculated Property
Pvap	0.91	kPa	359.96	Calculated Property
Pvap	7.22	kPa	407.37	Calculated Property
Pvap	33.83	kPa	454.78	Calculated Property
Pvap	111.40	kPa	502.18	Calculated Property
Pvap	287.44	kPa	549.59	Calculated Property
Pvap	624.85	kPa	597.00	Calculated Property
Pvap	1203.00	kPa	644.40	Calculated Property
Pvap	2124.93	kPa	691.81	Calculated Property

Similar Compounds

Find more compounds similar to Cyclohexane, hexyl-.

Mixtures

• Cyclohexane, hexyl- + Dodecane
• Cyclohexane, hexyl- + Hexadecane

Sources

• KDB Vapor Pressure Data
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Volume expansion prediction of supercritical CO 2 + crude oil
• Melting Point, Enthalpy of Fusion, and Heat Capacity Measurements of Several Polyfunctional, Industrially Important Compounds by Differential Scanning Calorimetry
• Densities, Speeds of Sound, and Viscosities of Binary Mixtures of an n-Alkylcyclohexane (n-Propyl-, n-Pentyl-, n-Hexyl-, n-Heptyl, n-Octyl-, n-Nonyl-, n-Decyl-, and n-Dodecyl-) with n-Hexadecane
• Thermophysical Properties of Binary Mixtures of n-Dodecane with n-Alkylcyclohexanes: Experimental Measurements and Molecular Dynamics Simulations
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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