Chemical Properties of Cyclohexane, 1,1'-(1-methylpropylidene)bis-

InChI

InChI=1S/C16H30/c1-3-16(2,14-10-6-4-7-11-14)15-12-8-5-9-13-15/h14-15H,3-13H2,1-2H3

InChI Key

AXABZNLJYTXFRF-UHFFFAOYSA-N

Formula

C16H30

SMILES

CCC(C)(C1CCCCC1)C1CCCCC1

Molecular Weight¹

222.42

• 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).
• 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	0.3734		Relay (1.0) Calculated Property
ΔcH°liquid	-10240.00	kJ/mol	NIST
ΔfG°	135.58	kJ/mol	Joback Calculated Property
ΔfH°gas	-247.00	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	13.45	kJ/mol	Joback Calculated Property
ΔvapH°	69.74	kJ/mol	Relay (1.0) Calculated Property
IE	8.99	eV	Relay (1.0) Calculated Property
logPoct/wat	5.563		Crippen Calculated Property
McVol	214.580	ml/mol	McGowan Calculated Property
Pc	1849.92	kPa	Joback Calculated Property
Tboil	[575.30; 575.30]	K
Tboil	575.30 ± 0.60	K	NIST
Tboil	575.30 ± 0.60	K	NIST
Tc	786.41	K	Relay (1.0) Calculated Property
Tfus	[288.53; 288.53]	K
Tfus	288.53 ± 0.10	K	NIST
Tfus	288.53 ± 0.10	K	NIST
Vc	0.746	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Log10 of Water solubility in mol/l for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[267.20; 816.40]	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			-1.67339e+02
Coefficient B			1.89384e+00
Coefficient C			-1.18040e-03
Coefficient D			2.70300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	267.20	J/mol×K	273.00	Calculated Property
Cp,gas	366.89	J/mol×K	353.78	Calculated Property
Cp,gas	454.92	J/mol×K	434.56	Calculated Property
Cp,gas	532.14	J/mol×K	515.33	Calculated Property
Cp,gas	599.40	J/mol×K	596.11	Calculated Property
Cp,gas	657.58	J/mol×K	676.89	Calculated Property
Cp,gas	707.51	J/mol×K	757.67	Calculated Property
Cp,gas	750.05	J/mol×K	838.44	Calculated Property
Cp,gas	786.06	J/mol×K	919.22	Calculated Property
Cp,gas	816.40	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0099226; 0.0001770]	Pa×s	[288.53; 581.44]	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			-1.26055e+01
Coefficient B			2.30608e+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.			288.53
Temperature range, max.			581.44
η	0.0099226	Pa×s	288.53	Calculated Property
η	0.0044135	Pa×s	321.08	Calculated Property
η	0.0022787	Pa×s	353.62	Calculated Property
η	0.0013152	Pa×s	386.17	Calculated Property
η	0.0008268	Pa×s	418.71	Calculated Property
η	0.0005558	Pa×s	451.26	Calculated Property
η	0.0003941	Pa×s	483.80	Calculated Property
η	0.0002918	Pa×s	516.35	Calculated Property
η	0.0002239	Pa×s	548.90	Calculated Property
η	0.0001770	Pa×s	581.44	Calculated Property

Similar Compounds

Find more compounds similar to Cyclohexane, 1,1'-(1-methylpropylidene)bis-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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