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

• 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).
• 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
ΔcH°liquid	-12030.50	kJ/mol	NIST
ΔfG°	155.56	kJ/mol	Joback Calculated Property
ΔfH°gas	-332.13	kJ/mol	Joback Calculated Property
ΔfusH°	25.11	kJ/mol	Joback Calculated Property
ΔvapH°	58.36	kJ/mol	Joback Calculated Property
log10WS	-6.84		Crippen 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	672.78	K	Joback Calculated Property
Tc	882.37	K	Joback 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
Vc	0.960	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[777.22; 915.11]	J/mol×K	[672.78; 882.37]
Cp,gas	777.22	J/mol×K	672.78	Joback Calculated Property
Cp,gas	804.14	J/mol×K	707.71	Joback Calculated Property
Cp,gas	829.41	J/mol×K	742.64	Joback Calculated Property
Cp,gas	853.08	J/mol×K	777.57	Joback Calculated Property
Cp,gas	875.21	J/mol×K	812.51	Joback Calculated Property
Cp,gas	895.87	J/mol×K	847.44	Joback Calculated Property
Cp,gas	915.11	J/mol×K	882.37	Joback Calculated Property
Cp,liquid	[531.40; 534.70]	J/mol×K	[311.00; 313.00]
Cp,liquid	531.40	J/mol×K	311.00	NIST
Cp,liquid	534.70	J/mol×K	313.00	NIST
η	[0.0001136; 0.0084637]	Pa×s	[303.65; 672.78]
η	0.0084637	Pa×s	303.65	Joback Calculated Property
η	0.0022525	Pa×s	365.17	Joback Calculated Property
η	0.0008781	Pa×s	426.69	Joback Calculated Property
η	0.0004341	Pa×s	488.21	Joback Calculated Property
η	0.0002512	Pa×s	549.74	Joback Calculated Property
η	0.0001623	Pa×s	611.26	Joback Calculated Property
η	0.0001136	Pa×s	672.78	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 Yaw...
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

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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