Chemical Properties of Cyclohexane, 1,1'-(1-methylethylidene)bis- (CAS 54934-90-6)

InChI

InChI=1S/C15H28/c1-15(2,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h13-14H,3-12H2,1-2H3

InChI Key

CCXLOQVMDTWRSP-UHFFFAOYSA-N

Formula

C15H28

SMILES

CC(C)(C1CCCCC1)C1CCCCC1

Molecular Weight¹

208.38

CAS

54934-90-6

Other Names

• 2,2-Dicyclohexylpropane

• 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_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (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	0.3417		Relay (1.0) Calculated Property
ΔcH°liquid	-8996.00	kJ/mol	NIST
ΔfusH°	10.86	kJ/mol	Joback Calculated Property
ΔvapH°	64.91	kJ/mol	Relay (1.0) Calculated Property
IE	9.08	eV	Relay (1.0) Calculated Property
logPoct/wat	5.173		Crippen Calculated Property
McVol	200.490	ml/mol	McGowan Calculated Property
Pc	2012.70	kPa	Joback Calculated Property
Tboil	[559.40; 559.40]	K
Tboil	559.40 ± 0.50	K	NIST
Tboil	559.40 ± 0.60	K	NIST
Tboil	559.40 ± 0.50	K	NIST
Tboil	559.40 ± 0.60	K	NIST
Tc	777.98	K	Relay (1.0) Calculated Property
Tfus	[288.75; 288.76]	K
Tfus	288.75	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	288.76 ± 1.00	K	NIST
Tfus	288.76 ± 0.30	K	NIST
Tfus	288.76 ± 1.00	K	NIST
Tfus	288.76 ± 0.30	K	NIST

Cheméo can also estimate Critical Volume, Enthalpy of formation at standard conditions, 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[245.99; 764.81]	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			-1.66430e+02
Coefficient B			1.79884e+00
Coefficient C			-1.12600e-03
Coefficient D			2.58400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	245.99	J/mol×K	273.00	Calculated Property
Cp,gas	340.47	J/mol×K	353.78	Calculated Property
Cp,gas	423.84	J/mol×K	434.56	Calculated Property
Cp,gas	496.91	J/mol×K	515.33	Calculated Property
Cp,gas	560.49	J/mol×K	596.11	Calculated Property
Cp,gas	615.41	J/mol×K	676.89	Calculated Property
Cp,gas	662.49	J/mol×K	757.67	Calculated Property
Cp,gas	702.54	J/mol×K	838.44	Calculated Property
Cp,gas	736.37	J/mol×K	919.22	Calculated Property
Cp,gas	764.81	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0081358; 0.0001875]	Pa×s	[288.76; 568.64]	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			-1.24716e+01
Coefficient B			2.21192e+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.			288.76
Temperature range, max.			568.64
η	0.0081358	Pa×s	288.76	Calculated Property
η	0.0038633	Pa×s	319.86	Calculated Property
η	0.0020933	Pa×s	350.95	Calculated Property
η	0.0012533	Pa×s	382.05	Calculated Property
η	0.0008106	Pa×s	413.15	Calculated Property
η	0.0005572	Pa×s	444.25	Calculated Property
η	0.0004023	Pa×s	475.35	Calculated Property
η	0.0003023	Pa×s	506.44	Calculated Property
η	0.0002348	Pa×s	537.54	Calculated Property
η	0.0001875	Pa×s	568.64	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[412.32; 596.69]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.39148e+01
Coefficient B			-4.30247e+03
Coefficient C			-9.65940e+01
Temperature range, min.			412.32
Temperature range, max.			596.69
Pvap	1.33	kPa	412.32	Calculated Property
Pvap	3.06	kPa	432.81	Calculated Property
Pvap	6.38	kPa	453.29	Calculated Property
Pvap	12.28	kPa	473.78	Calculated Property
Pvap	22.10	kPa	494.26	Calculated Property
Pvap	37.55	kPa	514.75	Calculated Property
Pvap	60.71	kPa	535.23	Calculated Property
Pvap	94.05	kPa	555.72	Calculated Property
Pvap	140.34	kPa	576.20	Calculated Property
Pvap	202.66	kPa	596.69	Calculated Property

Similar Compounds

Find more compounds similar to Cyclohexane, 1,1'-(1-methylethylidene)bis-.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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