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.

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Physical Properties

Property	Value	Unit	Source
ω	0.5377		Relay (1.0) Calculated Property
Δ_cH°_liquid	-12030.50	kJ/mol	NIST
Δ_fG°	155.56	kJ/mol	Joback Calculated Property
Δ_fH°_gas	-321.40	kJ/mol	Relay (1.0) Calculated Property
Δ_fusH°	25.11	kJ/mol	Joback Calculated Property
Δ_vapH°	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
logP_oct/wat	6.734		Crippen Calculated Property
McVol	256.850	ml/mol	McGowan Calculated Property
P_c	1452.35	kPa	Joback Calculated Property
T_boil	614.89	K	Relay (1.0) Calculated Property
T_c	808.85	K	Relay (1.0) Calculated Property
T_fus	[230.00; 241.48]	K
T_fus	241.48 ± 0.50	K	NIST
T_fus	230.00 ± 1.66	K	NIST
T_fus	238.00 ± 5.00	K	NIST
T_fus	230.00 ± 1.66	K	NIST
V_c	0.928	m³/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
C_p,liquid	[531.00; 708.00]	J/mol×K	[310.00; 480.00]

C_p,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
C_p,liquid	531.40	J/mol×K	311.00	NIST
C_p,liquid	534.70	J/mol×K	313.00	NIST
C_p,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
C_p,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
C_p,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
C_p,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
C_p,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
C_p,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
C_p,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
C_p,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
C_p,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
C_p,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
C_p,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
C_p,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
C_p,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
C_p,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
C_p,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
C_p,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
C_p,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
Δ_vapH	[73.80; 87.80]	kJ/mol	[330.50; 440.00]
Δ_vapH	87.80	kJ/mol	330.50	NIST
Δ_vapH	73.80	kJ/mol	440.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
C_p,gas	[331.99; 970.25]	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			-1.47275e+02
Coefficient B			2.05892e+00
Coefficient C			-1.17500e-03
Coefficient D			2.33600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00

C_p,gas	331.99	J/mol×K	273.00	Calculated Property
C_p,gas	444.41	J/mol×K	353.78	Calculated Property
C_p,gas	544.72	J/mol×K	434.56	Calculated Property
C_p,gas	633.68	J/mol×K	515.33	Calculated Property
C_p,gas	712.02	J/mol×K	596.11	Calculated Property
C_p,gas	780.47	J/mol×K	676.89	Calculated Property
C_p,gas	839.78	J/mol×K	757.67	Calculated Property
C_p,gas	890.69	J/mol×K	838.44	Calculated Property
C_p,gas	933.93	J/mol×K	919.22	Calculated Property
C_p,gas	970.25	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0844969; 0.0001557]	Pa×s	[234.87; 617.84]	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			-1.26292e+01
Coefficient B			2.38584e+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.			234.87
Temperature range, max.			617.84

η	0.0844969	Pa×s	234.87	Calculated Property
η	0.0177896	Pa×s	277.42	Calculated Property
η	0.0056685	Pa×s	319.97	Calculated Property
η	0.0023625	Pa×s	362.53	Calculated Property
η	0.0011834	Pa×s	405.08	Calculated Property
η	0.0006760	Pa×s	447.63	Calculated Property
η	0.0004256	Pa×s	490.18	Calculated Property
η	0.0002885	Pa×s	532.74	Calculated Property
η	0.0002072	Pa×s	575.29	Calculated Property
η	0.0001557	Pa×s	617.84	Calculated Property

Property	Value	Unit	Temperature (K)	Source
P_vap	[1.33; 202.65]	kPa	[449.12; 665.90]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is P_vap in kPa, T in K
Coefficient A			1.31850e+01
Coefficient B			-4.38172e+03
Coefficient C			-1.09382e+02
Temperature range, min.			449.12
Temperature range, max.			665.90

P_vap	1.33	kPa	449.12	Calculated Property
P_vap	3.13	kPa	473.21	Calculated Property
P_vap	6.61	kPa	497.29	Calculated Property
P_vap	12.80	kPa	521.38	Calculated Property
P_vap	23.04	kPa	545.47	Calculated Property
P_vap	38.98	kPa	569.55	Calculated Property
P_vap	62.59	kPa	593.64	Calculated Property
P_vap	96.10	kPa	617.73	Calculated Property
P_vap	141.93	kPa	641.81	Calculated Property
P_vap	202.65	kPa	665.90	Calculated Property

Similar Compounds

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

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

Physical Properties

Temperature Dependent Properties

Correlations

Similar Compounds

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