Chemical Properties of Cyclohexane, 1,1'-(1,3-propanediyl)bis- (CAS 3178-24-3)

InChI

InChI=1S/C15H28/c1-3-8-14(9-4-1)12-7-13-15-10-5-2-6-11-15/h14-15H,1-13H2

InChI Key

LIQIPWNPFZCAIQ-UHFFFAOYSA-N

Formula

C15H28

SMILES

C1CCC(CCCC2CCCCC2)CC1

Molecular Weight¹

208.38

CAS

3178-24-3

Other Names

• 1,3-Dicyclohexylpropane
• Propane, 1,3-dicyclohexyl-

• 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).
• 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	0.4349		Relay (1.0) Calculated Property
ΔcH°liquid	[-9637.00; -9017.00]	kJ/mol
ΔcH°liquid	-9017.00	kJ/mol	NIST
ΔcH°liquid	-9637.00	kJ/mol	NIST
ΔfG°	124.32	kJ/mol	Joback Calculated Property
ΔfH°gas	-300.98	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	18.28	kJ/mol	Joback Calculated Property
ΔvapH°	71.50	kJ/mol	Relay (1.0) Calculated Property
IE	9.42	eV	Relay (1.0) Calculated Property
log10WS	-6.73		Relay (1.0) Calculated Property
logPoct/wat	5.317		Crippen Calculated Property
McVol	200.490	ml/mol	McGowan Calculated Property
Pc	1978.82	kPa	Joback Calculated Property
Tboil	[563.00; 565.00]	K
Tboil	564.84 ± 0.30	K	NIST
Tboil	563.00 ± 5.00	K	NIST
Tboil	565.00 ± 5.00	K	NIST
Tboil	563.00 ± 5.00	K	NIST
Tboil	564.84 ± 0.30	K	NIST
Tc	772.58	K	Relay (1.0) Calculated Property
Tfus	[243.00; 258.33]	K
Tfus	256.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	258.33 ± 1.00	K	NIST
Tfus	258.33 ± 0.20	K	NIST
Tfus	Outlier 243.00 ± 6.00	K	NIST
Tfus	258.33 ± 1.00	K	NIST
Tfus	258.33 ± 0.20	K	NIST
Vc	0.743	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[247.45; 763.34]	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			-1.41957e+02
Coefficient B			1.67300e+00
Coefficient C			-9.54200e-04
Coefficient D			1.86500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	247.45	J/mol×K	273.00	Calculated Property
Cp,gas	338.74	J/mol×K	353.78	Calculated Property
Cp,gas	420.17	J/mol×K	434.56	Calculated Property
Cp,gas	492.31	J/mol×K	515.33	Calculated Property
Cp,gas	555.77	J/mol×K	596.11	Calculated Property
Cp,gas	611.12	J/mol×K	676.89	Calculated Property
Cp,gas	658.97	J/mol×K	757.67	Calculated Property
Cp,gas	699.89	J/mol×K	838.44	Calculated Property
Cp,gas	734.49	J/mol×K	919.22	Calculated Property
Cp,gas	763.34	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0136578; 0.0002195]	Pa×s	[257.89; 561.09]	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			-1.19376e+01
Coefficient B			1.97138e+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.			257.89
Temperature range, max.			561.09
η	0.0136578	Pa×s	257.89	Calculated Property
η	0.0056471	Pa×s	291.58	Calculated Property
η	0.0028036	Pa×s	325.27	Calculated Property
η	0.0015874	Pa×s	358.96	Calculated Property
η	0.0009909	Pa×s	392.65	Calculated Property
η	0.0006664	Pa×s	426.34	Calculated Property
η	0.0004750	Pa×s	460.02	Calculated Property
η	0.0003546	Pa×s	493.71	Calculated Property
η	0.0002747	Pa×s	527.40	Calculated Property
η	0.0002195	Pa×s	561.09	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[416.72; 602.36]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.39335e+01
Coefficient B			-4.34754e+03
Coefficient C			-9.81230e+01
Temperature range, min.			416.72
Temperature range, max.			602.36
Pvap	1.33	kPa	416.72	Calculated Property
Pvap	3.06	kPa	437.35	Calculated Property
Pvap	6.37	kPa	457.97	Calculated Property
Pvap	12.27	kPa	478.60	Calculated Property
Pvap	22.08	kPa	499.23	Calculated Property
Pvap	37.51	kPa	519.85	Calculated Property
Pvap	60.66	kPa	540.48	Calculated Property
Pvap	93.99	kPa	561.11	Calculated Property
Pvap	140.29	kPa	581.73	Calculated Property
Pvap	202.65	kPa	602.36	Calculated Property

Similar Compounds

Find more compounds similar to Cyclohexane, 1,1'-(1,3-propanediyl)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
• The Yaws Handbook of Vapor Pressure

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