Chemical Properties of Cyclohexane, 1-(3,7-dimethylnonyl)-2,2,6-trimethyl, # 2

InChI

InChI=1S/C21H42/c1-7-10-17(2)11-8-12-18(3)14-15-20-19(4)13-9-16-21(20,5)6/h17-20H,7-16H2,1-6H3

InChI Key

DAMPNNUACKJWFF-UHFFFAOYSA-N

Formula

C21H42

SMILES

CCCC(C)CCCC(C)CCC1C(C)CCCC1(C)C

Molecular Weight¹

294.56

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• I_np : Non-polar retention indices.
• 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	0.6035		Relay (... Calculated Property
ΔfG°	124.60	kJ/mol	Joback Calculated Property
ΔfH°gas	-448.41	kJ/mol	Relay (... Calculated Property
ΔfusH°	30.78	kJ/mol	Joback Calculated Property
ΔvapH°	85.80	kJ/mol	Relay (... Calculated Property
IE	9.11	eV	Relay (... Calculated Property
log10WS	-8.03		Relay (... Calculated Property
logPoct/wat	7.472		Crippen Calculated Property
McVol	295.890	ml/mol	McGowan Calculated Property
Pc	1086.35	kPa	Joback Calculated Property
Inp	[1841.00; 1841.00]
Inp	1841.00		NIST
Inp	1841.00		NIST
Tboil	596.11	K	Relay (... Calculated Property
Tc	771.95	K	Relay (... Calculated Property
Tfus	229.86	K	Relay (... Calculated Property
Vc	1.059	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[898.36; 1034.28]	J/mol×K	[689.45; 876.65]
Cp,gas	898.36	J/mol×K	689.45	Joback Calculated Property
Cp,gas	923.50	J/mol×K	720.65	Joback Calculated Property
Cp,gas	947.52	J/mol×K	751.85	Joback Calculated Property
Cp,gas	970.52	J/mol×K	783.05	Joback Calculated Property
Cp,gas	992.59	J/mol×K	814.25	Joback Calculated Property
Cp,gas	1013.81	J/mol×K	845.45	Joback Calculated Property
Cp,gas	1034.28	J/mol×K	876.65	Joback Calculated Property

Similar Compounds

Find more compounds similar to Cyclohexane, 1-(3,7-dimethylnonyl)-2,2,6-trimethyl, # 2.

Sources

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

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