Chemical Properties of Cyclohexane, 1,1'-ethylidenebis- (CAS 2319-61-1)

InChI

InChI=1S/C14H26/c1-12(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h12-14H,2-11H2,1H3

InChI Key

FUZBYNWONHYNOB-UHFFFAOYSA-N

Formula

C14H26

SMILES

CC(C1CCCCC1)C1CCCCC1

Molecular Weight¹

194.36

CAS

2319-61-1

Other Names

• 1,1'-Ethylidenebiscyclohexane
• 1,1-Dicyclohexylethane
• Ethane, 1,1-dicyclohexyl-

• ω : Acentric Factor.
• 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_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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• P_vap : Vapor pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.3419		Relay (1.0) Calculated Property
ΔcH°liquid	[-8929.10; -8347.00]	kJ/mol
ΔcH°liquid	-8347.00	kJ/mol	NIST
ΔcH°liquid	-8929.10	kJ/mol	NIST
ΔfH°gas	-248.78	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	12.16	kJ/mol	Joback Calculated Property
ΔvapH°	64.03	kJ/mol	Relay (1.0) Calculated Property
IE	9.32	eV	Relay (1.0) Calculated Property
logPoct/wat	4.783		Crippen Calculated Property
McVol	186.400	ml/mol	McGowan Calculated Property
Pc	2175.46	kPa	Joback Calculated Property
Tboil	[530.00; 544.32]	K
Tboil	544.32 ± 0.30	K	NIST
Tboil	544.32 ± 1.00	K	NIST
Tboil	530.00 ± 10.00	K	NIST
Tboil	530.00 ± 10.00	K	NIST
Tboil	544.32 ± 0.30	K	NIST
Tc	754.49	K	Relay (1.0) Calculated Property
Tfus	[252.17; 252.28]	K
Tfus	252.28 ± 0.30	K	NIST
Tfus	252.28 ± 0.20	K	NIST
Tfus	252.17 ± 0.70	K	NIST
Tfus	252.28 ± 0.30	K	NIST
Tfus	252.28 ± 0.20	K	NIST

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	[348.10; 514.00]	J/mol×K	[310.00; 480.00]
Cp,liquid	349.00	J/mol×K	310.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	348.10	J/mol×K	313.00	NIST
Cp,liquid	358.00	J/mol×K	320.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	368.00	J/mol×K	330.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	378.00	J/mol×K	340.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	388.00	J/mol×K	350.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	397.00	J/mol×K	360.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	407.00	J/mol×K	370.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	417.00	J/mol×K	380.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	427.00	J/mol×K	390.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	436.00	J/mol×K	400.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	446.00	J/mol×K	410.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	456.00	J/mol×K	420.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	466.00	J/mol×K	430.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	475.00	J/mol×K	440.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	485.00	J/mol×K	450.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	495.00	J/mol×K	460.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	505.00	J/mol×K	470.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	514.00	J/mol×K	480.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
ΔvapH	62.10	kJ/mol	386.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[225.92; 712.29]	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			-1.42730e+02
Coefficient B			1.58392e+00
Coefficient C			-9.03000e-04
Coefficient D			1.74100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	225.92	J/mol×K	273.00	Calculated Property
Cp,gas	312.32	J/mol×K	353.78	Calculated Property
Cp,gas	389.34	J/mol×K	434.56	Calculated Property
Cp,gas	457.54	J/mol×K	515.33	Calculated Property
Cp,gas	517.46	J/mol×K	596.11	Calculated Property
Cp,gas	569.67	J/mol×K	676.89	Calculated Property
Cp,gas	614.70	J/mol×K	757.67	Calculated Property
Cp,gas	653.12	J/mol×K	838.44	Calculated Property
Cp,gas	685.46	J/mol×K	919.22	Calculated Property
Cp,gas	712.29	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0128980; 0.0002102]	Pa×s	[252.26; 551.11]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.19423e+01
Coefficient B			1.91504e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			252.26
Temperature range, max.			551.11
η	0.0128980	Pa×s	252.26	Calculated Property
η	0.0053334	Pa×s	285.46	Calculated Property
η	0.0026510	Pa×s	318.67	Calculated Property
η	0.0015036	Pa×s	351.88	Calculated Property
η	0.0009404	Pa×s	385.08	Calculated Property
η	0.0006337	Pa×s	418.29	Calculated Property
η	0.0004525	Pa×s	451.49	Calculated Property
η	0.0003384	Pa×s	484.70	Calculated Property
η	0.0002627	Pa×s	517.91	Calculated Property
η	0.0002102	Pa×s	551.11	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[400.46; 580.83]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.38896e+01
Coefficient B			-4.18921e+03
Coefficient C			-9.24710e+01
Temperature range, min.			400.46
Temperature range, max.			580.83
Pvap	1.33	kPa	400.46	Calculated Property
Pvap	3.06	kPa	420.50	Calculated Property
Pvap	6.39	kPa	440.54	Calculated Property
Pvap	12.30	kPa	460.58	Calculated Property
Pvap	22.13	kPa	480.62	Calculated Property
Pvap	37.59	kPa	500.67	Calculated Property
Pvap	60.77	kPa	520.71	Calculated Property
Pvap	94.11	kPa	540.75	Calculated Property
Pvap	140.38	kPa	560.79	Calculated Property
Pvap	202.64	kPa	580.83	Calculated Property

Similar Compounds

Find more compounds similar to Cyclohexane, 1,1'-ethylidenebis-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure
• Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD

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