Chemical Properties of Cyclohexane, 1,1'-methylenebis- (CAS 3178-23-2)

InChI

InChI=1S/C13H24/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13/h12-13H,1-11H2

InChI Key

XXKOQQBKBHUATC-UHFFFAOYSA-N

Formula

C13H24

SMILES

C1CCC(CC2CCCCC2)CC1

Molecular Weight¹

180.34

CAS

3178-23-2

Other Names

• 1,1'-Methylenebiscyclohexane
• Dicyclohexylmethane
• Methane, 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_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).
• 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).
• I_np : Non-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
ω	0.3532		Relay (1.0) Calculated Property
ΔcH°liquid	[-8250.80; -7719.00]	kJ/mol
ΔcH°liquid	-8170.45	kJ/mol	NIST
ΔcH°liquid	-7719.00	kJ/mol	NIST
ΔcH°liquid	-8250.80	kJ/mol	NIST
ΔfG°	107.48	kJ/mol	Joback Calculated Property
ΔfH°gas	-238.75	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	13.10	kJ/mol	Joback Calculated Property
ΔvapH°	63.05	kJ/mol	Relay (1.0) Calculated Property
IE	9.45	eV	Relay (1.0) Calculated Property
log10WS	-6.02		Relay (1.0) Calculated Property
logPoct/wat	4.537		Crippen Calculated Property
McVol	172.310	ml/mol	McGowan Calculated Property
Pc	2365.67	kPa	Joback Calculated Property
Inp	[1385.00; 1427.00]
Inp	1385.00		NIST
Inp	1418.00		NIST
Inp	1427.00		NIST
Inp	1385.00		NIST
Tboil	[523.00; 526.00]	K
Tboil	526.00 ± 0.60	K	NIST
Tboil	525.92 ± 1.00	K	NIST
Tboil	525.00 ± 3.00	K	NIST
Tboil	523.00 ± 2.00	K	NIST
Tboil	524.00 ± 3.00	K	NIST
Tboil	526.00 ± 0.60	K	NIST
Tc	743.57	K	Relay (1.0) Calculated Property
Tfus	[254.45; 254.46]	K
Tfus	254.45 ± 0.30	K	NIST
Tfus	254.45 ± 0.20	K	NIST
Tfus	254.46 ± 0.30	K	NIST
Tfus	254.45 ± 0.30	K	NIST
Tfus	254.45 ± 0.20	K	NIST
Vc	0.631	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[436.88; 571.84]	J/mol×K	[535.94; 763.72]
Cp,gas	436.88	J/mol×K	535.94	Joback Calculated Property
Cp,gas	463.27	J/mol×K	573.90	Joback Calculated Property
Cp,gas	488.03	J/mol×K	611.87	Joback Calculated Property
Cp,gas	511.21	J/mol×K	649.83	Joback Calculated Property
Cp,gas	532.87	J/mol×K	687.79	Joback Calculated Property
Cp,gas	553.06	J/mol×K	725.76	Joback Calculated Property
Cp,gas	571.84	J/mol×K	763.72	Joback Calculated Property
Cp,liquid	[320.10; 485.60]	J/mol×K	[310.00; 480.00]
Cp,liquid	355.80	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	355.20	J/mol×K	311.00	NIST
Cp,liquid	320.10	J/mol×K	313.00	NIST
Cp,liquid	360.30	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	365.30	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	370.60	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	376.30	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	382.40	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	388.80	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	395.70	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	403.00	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	410.60	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	418.60	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	427.00	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	435.80	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	445.00	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	454.60	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	464.60	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	474.90	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	485.60	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
η	[0.0002347; 0.0102425]	Pa×s	[251.03; 535.94]
η	0.0102425	Pa×s	251.03	Joback Calculated Property
η	0.0033091	Pa×s	298.51	Joback Calculated Property
η	0.0014578	Pa×s	346.00	Joback Calculated Property
η	0.0007827	Pa×s	393.49	Joback Calculated Property
η	0.0004805	Pa×s	440.97	Joback Calculated Property
η	0.0003243	Pa×s	488.46	Joback Calculated Property
η	0.0002347	Pa×s	535.94	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[385.76; 561.68]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.38331e+01
Coefficient B			-4.04191e+03
Coefficient C			-8.73640e+01
Temperature range, min.			385.76
Temperature range, max.			561.68
Pvap	1.33	kPa	385.76	Calculated Property
Pvap	3.07	kPa	405.31	Calculated Property
Pvap	6.40	kPa	424.85	Calculated Property
Pvap	12.33	kPa	444.40	Calculated Property
Pvap	22.20	kPa	463.95	Calculated Property
Pvap	37.70	kPa	483.49	Calculated Property
Pvap	60.91	kPa	503.04	Calculated Property
Pvap	94.26	kPa	522.59	Calculated Property
Pvap	140.50	kPa	542.13	Calculated Property
Pvap	202.66	kPa	561.68	Calculated Property

Similar Compounds

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

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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