Chemical Properties of Cyclohexane, 1,1'-hexylidenebis- (CAS 55030-20-1)

InChI

InChI=1S/C18H34/c1-2-3-6-15-18(16-11-7-4-8-12-16)17-13-9-5-10-14-17/h16-18H,2-15H2,1H3

InChI Key

QDXQNQHDJRBQIE-UHFFFAOYSA-N

Formula

C18H34

SMILES

CCCCCC(C1CCCCC1)C1CCCCC1

Molecular Weight¹

250.47

CAS

55030-20-1

Other Names

• 1,1-Dicyclohexylhexane

• ω : Acentric Factor.
• Δ_cH°_solid : Standard solid 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	0.4932		Relay (1.0) Calculated Property
ΔcH°solid	-11560.00	kJ/mol	NIST
ΔfG°	147.14	kJ/mol	Joback Calculated Property
ΔfH°gas	-300.59	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	22.52	kJ/mol	Joback Calculated Property
ΔvapH°	76.77	kJ/mol	Relay (1.0) Calculated Property
IE	9.30	eV	Relay (1.0) Calculated Property
log10WS	-7.24		Relay (1.0) Calculated Property
logPoct/wat	6.344		Crippen Calculated Property
McVol	242.760	ml/mol	McGowan Calculated Property
Pc	1564.75	kPa	Joback Calculated Property
Tboil	[589.00; 589.00]	K
Tboil	589.00 ± 3.00	K	NIST
Tboil	589.00 ± 3.00	K	NIST
Tc	797.61	K	Relay (1.0) Calculated Property
Tfus	[276.54; 281.90]	K
Tfus	276.54 ± 0.20	K	NIST
Tfus	281.90 ± 0.80	K	NIST
Tfus	276.54 ± 0.20	K	NIST
Tfus	281.90 ± 0.80	K	NIST
Vc	0.873	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[310.78; 918.65]	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			-1.46366e+02
Coefficient B			1.96392e+00
Coefficient C			-1.12060e-03
Coefficient D			2.21700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	310.78	J/mol×K	273.00	Calculated Property
Cp,gas	417.99	J/mol×K	353.78	Calculated Property
Cp,gas	513.65	J/mol×K	434.56	Calculated Property
Cp,gas	598.45	J/mol×K	515.33	Calculated Property
Cp,gas	673.11	J/mol×K	596.11	Calculated Property
Cp,gas	738.31	J/mol×K	676.89	Calculated Property
Cp,gas	794.77	J/mol×K	757.67	Calculated Property
Cp,gas	843.18	J/mol×K	838.44	Calculated Property
Cp,gas	884.24	J/mol×K	919.22	Calculated Property
Cp,gas	918.65	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0138811; 0.0001681]	Pa×s	[279.22; 604.10]	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			-1.24847e+01
Coefficient B			2.29168e+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.			279.22
Temperature range, max.			604.10
η	0.0138811	Pa×s	279.22	Calculated Property
η	0.0054246	Pa×s	315.32	Calculated Property
η	0.0025712	Pa×s	351.42	Calculated Property
η	0.0014006	Pa×s	387.51	Calculated Property
η	0.0008462	Pa×s	423.61	Calculated Property
η	0.0005533	Pa×s	459.71	Calculated Property
η	0.0003849	Pa×s	495.81	Calculated Property
η	0.0002813	Pa×s	531.90	Calculated Property
η	0.0002139	Pa×s	568.00	Calculated Property
η	0.0001681	Pa×s	604.10	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[439.52; 626.33]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.42797e+01
Coefficient B			-4.66602e+03
Coefficient C			-1.06046e+02
Temperature range, min.			439.52
Temperature range, max.			626.33
Pvap	1.33	kPa	439.52	Calculated Property
Pvap	3.03	kPa	460.28	Calculated Property
Pvap	6.28	kPa	481.03	Calculated Property
Pvap	12.05	kPa	501.79	Calculated Property
Pvap	21.69	kPa	522.55	Calculated Property
Pvap	36.92	kPa	543.30	Calculated Property
Pvap	59.87	kPa	564.06	Calculated Property
Pvap	93.12	kPa	584.82	Calculated Property
Pvap	139.61	kPa	605.57	Calculated Property
Pvap	202.66	kPa	626.33	Calculated Property

Similar Compounds

Find more compounds similar to Cyclohexane, 1,1'-hexylidenebis-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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