Chemical Properties of 1,1'-Bicyclohexyl (CAS 92-51-3)

InChI

InChI=1S/C12H22/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h11-12H,1-10H2

InChI Key

WVIIMZNLDWSIRH-UHFFFAOYSA-N

Formula

C12H22

SMILES

C1CCC(C2CCCCC2)CC1

Molecular Weight¹

166.30

CAS

92-51-3

Other Names

• 1,1'-Biphenyl, dodecahydro-
• 1,1-Bicyclohexyl
• BICYCLOHEXANE
• Bicyclohexyl
• Cyclohexane, cyclohexyl-
• Cyclohexylcyclohexane
• DICYCLOHEXYL
• DODECAHYDRO-1,1-BIPHENYL
• Dicyclohexane
• Dodecahydrobiphenyl
• NSC 59855

• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• 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_fusH : Enthalpy of fusion at a given temperature (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).
• n₀ : Refractive Index.
• ρ_l : Liquid Density (kg/m³).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• T_triple : Triple Point Temperature (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°liquid	[-7596.50; -7439.65]	kJ/mol
ΔcH°liquid	-7589.90 ± 2.60	kJ/mol	NIST
ΔcH°liquid	-7593.00 ± 1.00	kJ/mol	NIST
ΔcH°liquid	-7439.65	kJ/mol	NIST
ΔcH°liquid	-7596.50	kJ/mol	NIST
ΔcH°liquid	-7537.50 ± 6.30	kJ/mol	NIST
ΔfG°	99.06	kJ/mol	Joback Calculated Property
ΔfH°gas	[-218.40; -215.30]	kJ/mol
ΔfH°gas	-218.40 ± 3.10	kJ/mol	NIST
ΔfH°gas	-215.30	kJ/mol	NIST
ΔfH°liquid	[-276.40; -273.30]	kJ/mol
ΔfH°liquid	-276.40 ± 3.10	kJ/mol	NIST
ΔfH°liquid	-273.30 ± 1.20	kJ/mol	NIST
ΔfusH°	10.51	kJ/mol	Joback Calculated Property
ΔvapH°	[57.98; 58.00]	kJ/mol
ΔvapH°	57.98	kJ/mol	NIST
ΔvapH°	58.00 ± 0.30	kJ/mol	NIST
ΔvapH°	58.00	kJ/mol	NIST
ΔvapH°	58.00 ± 0.20	kJ/mol	NIST
IE	9.41	eV	NIST
log10WS	-4.15		Crippen Calculated Property
logPoct/wat	4.147		Crippen Calculated Property
McVol	158.220	ml/mol	McGowan Calculated Property
Pc	2603.08	kPa	Joback Calculated Property
Inp	[1284.00; 1327.00]
Inp	1313.00		NIST
Inp	1324.00		NIST
Inp	1309.00		NIST
Inp	1295.00		NIST
Inp	1327.00		NIST
Inp	1284.00		NIST
Inp	1327.00		NIST
Inp	1284.00		NIST
Inp	1301.50		NIST
Inp	1301.20		NIST
Inp	1293.10		NIST
Inp	1301.50		NIST
Inp	1307.80		NIST
Inp	1304.39		NIST
Inp	1293.10		NIST
Inp	1301.50		NIST
Inp	1307.80		NIST
Inp	1301.50		NIST
Inp	1301.20		NIST
Inp	1312.00		NIST
Inp	1298.00		NIST
Inp	1313.00		NIST
I	[1420.00; 1431.00]
I	1420.00		NIST
I	1431.00		NIST
Tboil	513.06	K	Joback Calculated Property
Tc	745.11	K	Joback Calculated Property
Tfus	239.76	K	Joback Calculated Property
Ttriple	276.90 ± 0.00	K	NIST
Vc	0.574	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[385.05; 518.21]	J/mol×K	[513.06; 745.11]
Cp,gas	385.05	J/mol×K	513.06	Joback Calculated Property
Cp,gas	411.12	J/mol×K	551.73	Joback Calculated Property
Cp,gas	435.56	J/mol×K	590.41	Joback Calculated Property
Cp,gas	458.45	J/mol×K	629.08	Joback Calculated Property
Cp,gas	479.81	J/mol×K	667.76	Joback Calculated Property
Cp,gas	499.72	J/mol×K	706.43	Joback Calculated Property
Cp,gas	518.21	J/mol×K	745.11	Joback Calculated Property
Cp,liquid	[283.00; 300.40]	J/mol×K	[298.15; 313.00]
Cp,liquid	283.00	J/mol×K	298.15	NIST
Cp,liquid	300.40	J/mol×K	311.00	NIST
Cp,liquid	300.00	J/mol×K	313.00	NIST
η	[0.0002550; 0.0108669]	Pa×s	[239.76; 513.06]
η	0.0108669	Pa×s	239.76	Joback Calculated Property
η	0.0035294	Pa×s	285.31	Joback Calculated Property
η	0.0015623	Pa×s	330.86	Joback Calculated Property
η	0.0008424	Pa×s	376.41	Joback Calculated Property
η	0.0005190	Pa×s	421.96	Joback Calculated Property
η	0.0003514	Pa×s	467.51	Joback Calculated Property
η	0.0002550	Pa×s	513.06	Joback Calculated Property
ΔfusH	[0.74; 7.08]	kJ/mol	[223.00; 277.20]
ΔfusH	6.86	kJ/mol	223.00	NIST
ΔfusH	1.54	kJ/mol	256.10	NIST
ΔfusH	0.74	kJ/mol	267.50	NIST
ΔfusH	7.08	kJ/mol	273.50	NIST
ΔfusH	6.78	kJ/mol	277.20	NIST
ΔfusH	6.78	kJ/mol	277.20	NIST
ΔvapH	[42.50; 53.80]	kJ/mol	[421.00; 525.00]
ΔvapH	53.80	kJ/mol	421.00	NIST
ΔvapH	50.10	kJ/mol	435.00	NIST
ΔvapH	42.50	kJ/mol	525.00	NIST
n0	1.47870		293.15	Density...
ρl	[828.60; 886.13]	kg/m3	[293.15; 373.15]
ρl	886.05	kg/m3	293.15	Densiti...
ρl	886.13	kg/m3	293.15	Density...
ρl	882.44	kg/m3	298.15	Densiti...
ρl	878.93	kg/m3	303.15	Density...
ρl	878.84	kg/m3	303.15	Densiti...
ρl	875.25	kg/m3	308.15	Densiti...
ρl	871.66	kg/m3	313.15	Densiti...
ρl	871.74	kg/m3	313.15	Density...
ρl	868.08	kg/m3	318.15	Densiti...
ρl	864.50	kg/m3	323.15	Densiti...
ρl	864.58	kg/m3	323.15	Density...
ρl	860.93	kg/m3	328.15	Densiti...
ρl	857.35	kg/m3	333.15	Densiti...
ρl	857.43	kg/m3	333.15	Density...
ρl	850.29	kg/m3	343.15	Density...
ρl	843.00	kg/m3	353.15	Density...
ρl	835.90	kg/m3	363.15	Density...
ρl	828.60	kg/m3	373.15	Density...
ΔfusS	[2.77; 25.89]	J/mol×K	[256.10; 277.20]
ΔfusS	6.01	J/mol×K	256.10	NIST
ΔfusS	2.77	J/mol×K	267.50	NIST
ΔfusS	25.89	J/mol×K	273.50	NIST
ΔfusS	24.46	J/mol×K	277.20	NIST

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[374.91; 540.29]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.50496e+01
Coefficient B			-4.73244e+03
Coefficient C			-5.43230e+01
Temperature range, min.			374.91
Temperature range, max.			540.29
Pvap	1.33	kPa	374.91	Calculated Property
Pvap	2.97	kPa	393.29	Calculated Property
Pvap	6.09	kPa	411.66	Calculated Property
Pvap	11.63	kPa	430.04	Calculated Property
Pvap	20.93	kPa	448.41	Calculated Property
Pvap	35.73	kPa	466.79	Calculated Property
Pvap	58.29	kPa	485.16	Calculated Property
Pvap	91.35	kPa	503.54	Calculated Property
Pvap	138.21	kPa	521.91	Calculated Property
Pvap	202.64	kPa	540.29	Calculated Property
Pvap	[2.28e-03; 2535.63]	kPa	[276.78; 727.00]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			9.73446e+01
Coefficient B			-1.02483e+04
Coefficient C			-1.18827e+01
Coefficient D			5.45803e-06
Temperature range, min.			276.78
Temperature range, max.			727.00
Pvap	2.28e-03	kPa	276.78	Calculated Property
Pvap	0.11	kPa	326.80	Calculated Property
Pvap	1.55	kPa	376.83	Calculated Property
Pvap	10.62	kPa	426.85	Calculated Property
Pvap	45.22	kPa	476.88	Calculated Property
Pvap	139.85	kPa	526.90	Calculated Property
Pvap	347.46	kPa	576.93	Calculated Property
Pvap	741.46	kPa	626.95	Calculated Property
Pvap	1422.73	kPa	676.98	Calculated Property
Pvap	2535.63	kPa	727.00	Calculated Property

Similar Compounds

Find more compounds similar to 1,1'-Bicyclohexyl.

Mixtures

• Naphthalene, 1,2,3,4-tetrahydro- + 1,1'-Bicyclohexyl
• Naphthalene, decahydro-, trans- + 1,1'-Bicyclohexyl
• Dodecane + 1,1'-Bicyclohexyl
• 1-Butanol + 1,1'-Bicyclohexyl
• Dodecane + 1-Butanol + 1,1'-Bicyclohexyl
• Cyclohexane, methyl- + 1,1'-Bicyclohexyl
• Cyclohexane, ethyl- + 1,1'-Bicyclohexyl
• Cyclohexane, butyl- + 1,1'-Bicyclohexyl

Sources

• KDB Vapor Pressure Data
• Crippen Method
• Crippen Method
• Density and Viscosity from 293.15 to 373.15 K, Speed of Sound and Bulk Modulus from 293.15 to 343.15 K, Surface Tension, and Flash Point of Binary Mixtures of Bicyclohexyl and 1,2,3,4-Tetrahydronaphthalene or Trans-decahydronaphthalene at 0.1 MPa
• Densities and Viscosities of Ternary System n-Dodecane (1) + Bicyclohexyl (2) + n-Butanol (3) and Corresponding Binaries at T = (293.15 to 333.15) K
• Density, Viscosity, Refractive Index, and Freezing Point for Binary Mixtures of 1,1'-Bicyclohexyl with Alkylcyclohexane
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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