Chemical Properties of 1-Methyl-4-(1-methylethyl)-3-[1-methyl-1-(4-methylpentyl)-5-methylheptyl]cyclohexene

InChI

InChI=1S/C25H48/c1-9-21(6)13-11-17-25(8,16-10-12-19(2)3)24-18-22(7)14-15-23(24)20(4)5/h18-21,23-24H,9-17H2,1-8H3

InChI Key

BSFSYBSOZFHRHQ-UHFFFAOYSA-N

Formula

C25H48

SMILES

CCC(C)CCCC(C)(CCCC(C)C)C1C=C(C)CCC1C(C)C

Molecular Weight¹

348.65

Other Names

• 3-[1,5-Dimethyl-1-(4-methyl-pentyl)-heptyl]-4-isopropyl-1-methyl-cyclohexene

• 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).
• 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°	192.21	kJ/mol	Joback Calculated Property
ΔfH°gas	-503.63	kJ/mol	Joback Calculated Property
ΔfusH°	36.26	kJ/mol	Joback Calculated Property
ΔvapH°	69.86	kJ/mol	Joback Calculated Property
log10WS	-8.59		Crippen Calculated Property
logPoct/wat	8.664		Crippen Calculated Property
McVol	347.950	ml/mol	McGowan Calculated Property
Pc	874.28	kPa	Joback Calculated Property
Inp	[2078.00; 2087.00]
Inp	2078.00		NIST
Inp	2087.00		NIST
Tboil	785.87	K	Joback Calculated Property
Tc	977.85	K	Joback Calculated Property
Tfus	345.35	K	Joback Calculated Property
Vc	1.325	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1129.98; 1257.63]	J/mol×K	[785.87; 977.85]
Cp,gas	1129.98	J/mol×K	785.87	Joback Calculated Property
Cp,gas	1154.56	J/mol×K	817.87	Joback Calculated Property
Cp,gas	1177.72	J/mol×K	849.86	Joback Calculated Property
Cp,gas	1199.55	J/mol×K	881.86	Joback Calculated Property
Cp,gas	1220.11	J/mol×K	913.86	Joback Calculated Property
Cp,gas	1239.44	J/mol×K	945.85	Joback Calculated Property
Cp,gas	1257.63	J/mol×K	977.85	Joback Calculated Property
η	[0.0000449; 0.0038806]	Pa×s	[345.35; 785.87]
η	0.0038806	Pa×s	345.35	Joback Calculated Property
η	0.0009617	Pa×s	418.77	Joback Calculated Property
η	0.0003613	Pa×s	492.19	Joback Calculated Property
η	0.0001751	Pa×s	565.61	Joback Calculated Property
η	0.0001002	Pa×s	639.03	Joback Calculated Property
η	0.0000643	Pa×s	712.45	Joback Calculated Property
η	0.0000449	Pa×s	785.87	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1-Methyl-4-(1-methylethyl)-3-[1-methyl-1-(4-methylpentyl)-5-methylheptyl]cyclohexene.

Sources

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

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