Chemical Properties of 4-Isopropyl-1-methyl-3-[1,5,9-trimethyl-1-(4-methyl-hexyl)-decyl]-cyclohexene

InChI

InChI=1S/C30H56/c1-10-25(6)16-12-20-30(9,21-13-17-26(7)15-11-14-23(2)3)29-22-27(8)18-19-28(29)24(4)5/h22-23,25-26,28-29H,4,10-21H2,1-3,5-9H3

InChI Key

VRKPWMBSRMUFHZ-UHFFFAOYSA-N

Formula

C30H56

SMILES

C=C(C)C1CCC(C)=CC1C(C)(CCCC(C)CC)CCCC(C)CCCC(C)C

Molecular Weight¹

416.77

• 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°	313.60	kJ/mol	Joback Calculated Property
ΔfH°gas	-491.19	kJ/mol	Joback Calculated Property
ΔfusH°	46.62	kJ/mol	Joback Calculated Property
ΔvapH°	80.40	kJ/mol	Joback Calculated Property
log10WS	-10.53		Crippen Calculated Property
logPoct/wat	10.390		Crippen Calculated Property
McVol	414.100	ml/mol	McGowan Calculated Property
Pc	687.09	kPa	Joback Calculated Property
Inp	[2549.00; 2549.00]
Inp	2549.00		NIST
Inp	2549.00		NIST
Tboil	896.83	K	Joback Calculated Property
Tc	1099.61	K	Joback Calculated Property
Tfus	385.98	K	Joback Calculated Property
Vc	1.587	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1427.80; 1555.67]	J/mol×K	[896.83; 1099.61]
Cp,gas	1427.80	J/mol×K	896.83	Joback Calculated Property
Cp,gas	1452.54	J/mol×K	930.63	Joback Calculated Property
Cp,gas	1475.79	J/mol×K	964.42	Joback Calculated Property
Cp,gas	1497.64	J/mol×K	998.22	Joback Calculated Property
Cp,gas	1518.17	J/mol×K	1032.02	Joback Calculated Property
Cp,gas	1537.48	J/mol×K	1065.81	Joback Calculated Property
Cp,gas	1555.67	J/mol×K	1099.61	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4-Isopropyl-1-methyl-3-[1,5,9-trimethyl-1-(4-methyl-hexyl)-decyl]-cyclohexene.

Sources

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

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