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

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

• 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).
• 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
ΔfG°	124.60	kJ/mol	Joback Calculated Property
ΔfH°gas	-458.45	kJ/mol	Joback Calculated Property
ΔfusH°	30.78	kJ/mol	Joback Calculated Property
ΔvapH°	60.22	kJ/mol	Joback Calculated Property
log10WS	-7.30		Crippen 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	[1839.00; 1839.00]
Inp	1839.00		NIST
Inp	1839.00		NIST
Tboil	689.45	K	Joback Calculated Property
Tc	876.65	K	Joback Calculated Property
Tfus	319.23	K	Joback Calculated Property
Vc	1.129	m3/kmol	Joback 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, # 1.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.