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.

Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Please note that you need to enable javascript to get access to all the properties. Here is how to do it for Internet Explorer and for Firefox.

Physical Properties

Property	Value	Unit	Source
ω	0.3532		Relay (1.0) Calculated Property
Δ_cH°_liquid	[-8250.80; -7719.00]	kJ/mol
Δ_cH°_liquid	-8170.45	kJ/mol	NIST
Δ_cH°_liquid	-7719.00	kJ/mol	NIST
Δ_cH°_liquid	-8250.80	kJ/mol	NIST
Δ_fG°	107.48	kJ/mol	Joback Calculated Property
Δ_fH°_gas	-238.75	kJ/mol	Relay (1.0) Calculated Property
Δ_fusH°	13.10	kJ/mol	Joback Calculated Property
Δ_vapH°	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
logP_oct/wat	4.537		Crippen Calculated Property
McVol	172.310	ml/mol	McGowan Calculated Property
P_c	2365.67	kPa	Joback Calculated Property
I_np	[1385.00; 1427.00]
I_np	1385.00		NIST
I_np	1418.00		NIST
I_np	1427.00		NIST
I_np	1385.00		NIST
T_boil	[523.00; 526.00]	K
T_boil	526.00 ± 0.60	K	NIST
T_boil	525.92 ± 1.00	K	NIST
T_boil	525.00 ± 3.00	K	NIST
T_boil	523.00 ± 2.00	K	NIST
T_boil	524.00 ± 3.00	K	NIST
T_boil	526.00 ± 0.60	K	NIST
T_c	743.57	K	Relay (1.0) Calculated Property
T_fus	[254.45; 254.46]	K
T_fus	254.45 ± 0.30	K	NIST
T_fus	254.45 ± 0.20	K	NIST
T_fus	254.46 ± 0.30	K	NIST
T_fus	254.45 ± 0.30	K	NIST
T_fus	254.45 ± 0.20	K	NIST
V_c	0.631	m³/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
C_p,liquid	[320.10; 485.60]	J/mol×K	[310.00; 480.00]

C_p,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
C_p,liquid	355.20	J/mol×K	311.00	NIST
C_p,liquid	320.10	J/mol×K	313.00	NIST
C_p,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
C_p,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
C_p,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
C_p,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
C_p,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
C_p,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
C_p,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
C_p,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
C_p,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
C_p,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
C_p,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
C_p,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
C_p,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
C_p,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
C_p,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
C_p,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
C_p,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

Correlations

Property	Value	Unit	Temperature (K)	Source
C_p,gas	[205.02; 660.16]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is C_p,gas in J/mol×K, T in K
Coefficient A			-1.40139e+02
Coefficient B			1.48300e+00
Coefficient C			-8.45400e-04
Coefficient D			1.62700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00

C_p,gas	205.02	J/mol×K	273.00	Calculated Property
C_p,gas	285.91	J/mol×K	353.78	Calculated Property
C_p,gas	358.01	J/mol×K	434.56	Calculated Property
C_p,gas	421.86	J/mol×K	515.33	Calculated Property
C_p,gas	477.95	J/mol×K	596.11	Calculated Property
C_p,gas	526.80	J/mol×K	676.89	Calculated Property
C_p,gas	568.94	J/mol×K	757.67	Calculated Property
C_p,gas	604.87	J/mol×K	838.44	Calculated Property
C_p,gas	635.10	J/mol×K	919.22	Calculated Property
C_p,gas	660.16	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0093094; 0.0002364]	Pa×s	[254.45; 534.80]	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			-1.16842e+01
Coefficient B			1.78306e+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.			254.45
Temperature range, max.			534.80

η	0.0093094	Pa×s	254.45	Calculated Property
η	0.0043350	Pa×s	285.60	Calculated Property
η	0.0023461	Pa×s	316.75	Calculated Property
η	0.0014173	Pa×s	347.90	Calculated Property
η	0.0009301	Pa×s	379.05	Calculated Property
η	0.0006507	Pa×s	410.20	Calculated Property
η	0.0004788	Pa×s	441.35	Calculated Property
η	0.0003669	Pa×s	472.50	Calculated Property
η	0.0002905	Pa×s	503.65	Calculated Property
η	0.0002364	Pa×s	534.80	Calculated Property

Property	Value	Unit	Temperature (K)	Source
P_vap	[1.33; 202.66]	kPa	[385.76; 561.68]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is P_vap in kPa, T in K
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

P_vap	1.33	kPa	385.76	Calculated Property
P_vap	3.07	kPa	405.31	Calculated Property
P_vap	6.40	kPa	424.85	Calculated Property
P_vap	12.33	kPa	444.40	Calculated Property
P_vap	22.20	kPa	463.95	Calculated Property
P_vap	37.70	kPa	483.49	Calculated Property
P_vap	60.91	kPa	503.04	Calculated Property
P_vap	94.26	kPa	522.59	Calculated Property
P_vap	140.50	kPa	542.13	Calculated Property
P_vap	202.66	kPa	561.68	Calculated Property

Similar Compounds

Cyclohexane, 1,1'-(1,5-pentanediyl)bis-.

Cyclohexane, 1,1'-(1,3-propanediyl)bis-.

Cyclohexane, 1,1'-[4-(3-cyclohexylpropyl)-1,7-heptanediyl]bis-.

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

Sources

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.

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

Physical Properties

Temperature Dependent Properties

Correlations

Similar Compounds

Sources