Chemical Properties of Cyclohexane, 1,1'-(1,5-pentanediyl)bis-

InChI

InChI=1S/C17H32/c1-4-10-16(11-5-1)14-8-3-9-15-17-12-6-2-7-13-17/h16-17H,1-15H2

InChI Key

ALPSDJDPJHLYKS-UHFFFAOYSA-N

Formula

C17H32

SMILES

C1CCC(CCCCCC2CCCCC2)CC1

Molecular Weight¹

236.44

• 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).
• 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).
• 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	0.5259		Relay (1.0) Calculated Property
ΔcH°liquid	-10930.00	kJ/mol	NIST
ΔfG°	141.16	kJ/mol	Joback Calculated Property
ΔfH°gas	-347.63	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	23.46	kJ/mol	Joback Calculated Property
ΔvapH°	80.67	kJ/mol	Relay (1.0) Calculated Property
IE	9.53	eV	Relay (1.0) Calculated Property
log10WS	-7.29		Relay (1.0) Calculated Property
logPoct/wat	6.098		Crippen Calculated Property
McVol	228.670	ml/mol	McGowan Calculated Property
Pc	1679.66	kPa	Joback Calculated Property
Tboil	[584.00; 598.30]	K
Tboil	598.30 ± 0.30	K	NIST
Tboil	588.00 ± 8.00	K	NIST
Tboil	584.00 ± 5.00	K	NIST
Tboil	584.00 ± 5.00	K	NIST
Tboil	598.30 ± 0.30	K	NIST
Tc	794.32	K	Relay (1.0) Calculated Property
Tfus	[259.54; 259.55]	K
Tfus	259.55	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	259.54 ± 1.00	K	NIST
Tfus	259.54 ± 0.20	K	NIST
Tfus	259.54 ± 1.00	K	NIST
Tfus	259.54 ± 0.20	K	NIST
Vc	0.853	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[289.88; 866.52]	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			-1.43775e+02
Coefficient B			1.86300e+00
Coefficient C			-1.06300e-03
Coefficient D			2.10300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	289.88	J/mol×K	273.00	Calculated Property
Cp,gas	391.58	J/mol×K	353.78	Calculated Property
Cp,gas	482.32	J/mol×K	434.56	Calculated Property
Cp,gas	562.77	J/mol×K	515.33	Calculated Property
Cp,gas	633.59	J/mol×K	596.11	Calculated Property
Cp,gas	695.45	J/mol×K	676.89	Calculated Property
Cp,gas	749.00	J/mol×K	757.67	Calculated Property
Cp,gas	794.92	J/mol×K	838.44	Calculated Property
Cp,gas	833.88	J/mol×K	919.22	Calculated Property
Cp,gas	866.52	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0204843; 0.0001963]	Pa×s	[259.54; 587.92]	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			-1.22093e+01
Coefficient B			2.15970e+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.			259.54
Temperature range, max.			587.92
η	0.0204843	Pa×s	259.54	Calculated Property
η	0.0073453	Pa×s	296.03	Calculated Property
η	0.0032987	Pa×s	332.51	Calculated Property
η	0.0017355	Pa×s	369.00	Calculated Property
η	0.0010250	Pa×s	405.49	Calculated Property
η	0.0006603	Pa×s	441.97	Calculated Property
η	0.0004549	Pa×s	478.46	Calculated Property
η	0.0003304	Pa×s	514.94	Calculated Property
η	0.0002503	Pa×s	551.43	Calculated Property
η	0.0001963	Pa×s	587.92	Calculated Property

Similar Compounds

Find more compounds similar to Cyclohexane, 1,1'-(1,5-pentanediyl)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

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