Chemical Properties of Heptane, 1,1-dicyclohexyl- (CAS 2090-15-5)

InChI

InChI=1S/C19H36/c1-2-3-4-11-16-19(17-12-7-5-8-13-17)18-14-9-6-10-15-18/h17-19H,2-16H2,1H3

InChI Key

HPTHOHVOEWQDAX-UHFFFAOYSA-N

Formula

C19H36

SMILES

CCCCCCC(C1CCCCC1)C1CCCCC1

Molecular Weight¹

264.49

CAS

2090-15-5

Other Names

• 1,1'-Heptylidenebiscyclohexane
• 1,1-Dicyclohexylheptane
• Cyclohexane, 1,1'-heptylidenebis-

• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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).
• 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	0.5377		Relay (1.0) Calculated Property
ΔcH°liquid	-12030.50	kJ/mol	NIST
ΔfG°	155.56	kJ/mol	Joback Calculated Property
ΔfH°gas	-321.40	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	25.11	kJ/mol	Joback Calculated Property
ΔvapH°	81.62	kJ/mol	Relay (1.0) Calculated Property
IE	9.34	eV	Relay (1.0) Calculated Property
log10WS	-7.53		Relay (1.0) Calculated Property
logPoct/wat	6.734		Crippen Calculated Property
McVol	256.850	ml/mol	McGowan Calculated Property
Pc	1452.35	kPa	Joback Calculated Property
Tboil	614.89	K	Relay (1.0) Calculated Property
Tc	808.85	K	Relay (1.0) Calculated Property
Tfus	[230.00; 241.48]	K
Tfus	241.48 ± 0.50	K	NIST
Tfus	230.00 ± 1.66	K	NIST
Tfus	238.00 ± 5.00	K	NIST
Tfus	230.00 ± 1.66	K	NIST
Vc	0.928	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[777.38; 915.25]	J/mol×K	[672.98; 882.63]
Cp,gas	777.38	J/mol×K	672.98	Joback Calculated Property
Cp,gas	804.30	J/mol×K	707.92	Joback Calculated Property
Cp,gas	829.57	J/mol×K	742.86	Joback Calculated Property
Cp,gas	853.23	J/mol×K	777.81	Joback Calculated Property
Cp,gas	875.36	J/mol×K	812.75	Joback Calculated Property
Cp,gas	896.01	J/mol×K	847.69	Joback Calculated Property
Cp,gas	915.25	J/mol×K	882.63	Joback Calculated Property
Cp,liquid	[531.00; 708.00]	J/mol×K	[310.00; 480.00]
Cp,liquid	531.00	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	531.40	J/mol×K	311.00	NIST
Cp,liquid	534.70	J/mol×K	313.00	NIST
Cp,liquid	542.00	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	552.00	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	563.00	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	573.00	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	583.00	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	594.00	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	604.00	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	614.00	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	625.00	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	635.00	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	645.00	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	656.00	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	666.00	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	677.00	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	687.00	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	697.00	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	708.00	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
η	[0.0001135; 0.0084637]	Pa×s	[303.65; 672.98]
η	0.0084637	Pa×s	303.65	Joback Calculated Property
η	0.0022512	Pa×s	365.20	Joback Calculated Property
η	0.0008774	Pa×s	426.76	Joback Calculated Property
η	0.0004336	Pa×s	488.31	Joback Calculated Property
η	0.0002510	Pa×s	549.87	Joback Calculated Property
η	0.0001621	Pa×s	611.42	Joback Calculated Property
η	0.0001135	Pa×s	672.98	Joback Calculated Property
ΔvapH	[73.80; 87.80]	kJ/mol	[330.50; 440.00]
ΔvapH	87.80	kJ/mol	330.50	NIST
ΔvapH	73.80	kJ/mol	440.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[449.12; 665.90]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.31850e+01
Coefficient B			-4.38172e+03
Coefficient C			-1.09382e+02
Temperature range, min.			449.12
Temperature range, max.			665.90
Pvap	1.33	kPa	449.12	Calculated Property
Pvap	3.13	kPa	473.21	Calculated Property
Pvap	6.61	kPa	497.29	Calculated Property
Pvap	12.80	kPa	521.38	Calculated Property
Pvap	23.04	kPa	545.47	Calculated Property
Pvap	38.98	kPa	569.55	Calculated Property
Pvap	62.59	kPa	593.64	Calculated Property
Pvap	96.10	kPa	617.73	Calculated Property
Pvap	141.93	kPa	641.81	Calculated Property
Pvap	202.65	kPa	665.90	Calculated Property

Similar Compounds

Find more compounds similar to Heptane, 1,1-dicyclohexyl-.

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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