Chemical Properties of 1,1-Dicyclohexylpentane (CAS 54833-30-6)

InChI

InChI=1S/C17H32/c1-2-3-14-17(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h15-17H,2-14H2,1H3

InChI Key

VSDFUDGIBYCRIM-UHFFFAOYSA-N

Formula

C17H32

SMILES

CCCCC(C1CCCCC1)C1CCCCC1

Molecular Weight¹

236.44

CAS

54833-30-6

Other Names

• Cyclohexane, 1,1'-pentylidenebis-

• 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_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).
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.4510		Relay (1.0) Calculated Property
ΔcH°liquid	-10930.00	kJ/mol	NIST
ΔfG°	138.72	kJ/mol	Joback Calculated Property
ΔfH°gas	-281.33	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	19.93	kJ/mol	Joback Calculated Property
ΔvapH°	72.65	kJ/mol	Relay (1.0) Calculated Property
IE	9.32	eV	Relay (1.0) Calculated Property
logPoct/wat	5.953		Crippen Calculated Property
McVol	228.670	ml/mol	McGowan Calculated Property
Pc	1690.72	kPa	Joback Calculated Property
Tboil	[581.00; 581.00]	K
Tboil	581.00 ± 3.00	K	NIST
Tboil	581.00 ± 3.00	K	NIST
Tc	786.23	K	Relay (1.0) Calculated Property
Tfus	[288.44; 288.44]	K
Tfus	288.44 ± 0.20	K	NIST
Tfus	288.44 ± 0.20	K	NIST
Vc	0.817	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Log10 of Water solubility in mol/l for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[289.56; 867.06]	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			-1.45457e+02
Coefficient B			1.86892e+00
Coefficient C			-1.06620e-03
Coefficient D			2.09800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	289.56	J/mol×K	273.00	Calculated Property
Cp,gas	391.57	J/mol×K	353.78	Calculated Property
Cp,gas	482.57	J/mol×K	434.56	Calculated Property
Cp,gas	563.22	J/mol×K	515.33	Calculated Property
Cp,gas	634.20	J/mol×K	596.11	Calculated Property
Cp,gas	696.15	J/mol×K	676.89	Calculated Property
Cp,gas	749.75	J/mol×K	757.67	Calculated Property
Cp,gas	795.66	J/mol×K	838.44	Calculated Property
Cp,gas	834.54	J/mol×K	919.22	Calculated Property
Cp,gas	867.06	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0088738; 0.0001800]	Pa×s	[288.44; 590.59]	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			-1.23433e+01
Coefficient B			2.19752e+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.			288.44
Temperature range, max.			590.59
η	0.0088738	Pa×s	288.44	Calculated Property
η	0.0040101	Pa×s	322.01	Calculated Property
η	0.0021054	Pa×s	355.58	Calculated Property
η	0.0012353	Pa×s	389.16	Calculated Property
η	0.0007889	Pa×s	422.73	Calculated Property
η	0.0005382	Pa×s	456.30	Calculated Property
η	0.0003869	Pa×s	489.87	Calculated Property
η	0.0002902	Pa×s	523.44	Calculated Property
η	0.0002253	Pa×s	557.02	Calculated Property
η	0.0001800	Pa×s	590.59	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[429.12; 619.47]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.39336e+01
Coefficient B			-4.45798e+03
Coefficient C			-1.02432e+02
Temperature range, min.			429.12
Temperature range, max.			619.47
Pvap	1.33	kPa	429.12	Calculated Property
Pvap	3.06	kPa	450.27	Calculated Property
Pvap	6.37	kPa	471.42	Calculated Property
Pvap	12.27	kPa	492.57	Calculated Property
Pvap	22.08	kPa	513.72	Calculated Property
Pvap	37.51	kPa	534.87	Calculated Property
Pvap	60.66	kPa	556.02	Calculated Property
Pvap	93.99	kPa	577.17	Calculated Property
Pvap	140.28	kPa	598.32	Calculated Property
Pvap	202.64	kPa	619.47	Calculated Property

Similar Compounds

Find more compounds similar to 1,1-Dicyclohexylpentane.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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