Chemical Properties of (7E)-2-(3,4-dimethylpentyl)-3,6,9,12,16,17-hexamethyl-13-methylene-9-vinyl-1,7,17-octadecatriene

InChI

InChI=1S/C34H60/c1-14-34(13,24-22-33(12)32(11)20-18-29(8)26(4)5)23-21-27(6)15-16-30(9)31(10)19-17-28(7)25(2)3/h14,21,23,25,27-30,33H,1,4,10-11,15-20,22,24H2,2-3,5-9,12-13H3/b23-21+

InChI Key

GNKJQNWBNLBMNN-XTQSDGFTSA-N

Formula

C34H60

SMILES

C=CC(C)(C=CC(C)CCC(C)C(=C)CCC(C)C(C)C)CCC(C)C(=C)CCC(C)C(=C)C

Molecular Weight¹

468.84

• 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	0.7684		Relay (... Calculated Property
ΔfG°	629.53	kJ/mol	Joback Calculated Property
ΔfH°gas	-439.16	kJ/mol	Relay (... Calculated Property
ΔfusH°	46.42	kJ/mol	Joback Calculated Property
ΔvapH°	112.42	kJ/mol	Relay (... Calculated Property
IE	8.47	eV	Relay (... Calculated Property
log10WS	-9.82		Relay (... Calculated Property
logPoct/wat	11.381		Crippen Calculated Property
McVol	468.420	ml/mol	McGowan Calculated Property
Pc	572.33	kPa	Joback Calculated Property
Inp	[2759.00; 2759.00]
Inp	2759.00		NIST
Inp	2759.00		NIST
Tboil	682.18	K	Relay (... Calculated Property
Tc	830.55	K	Relay (... Calculated Property
Tfus	264.01	K	Relay (... Calculated Property
Vc	1.605	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1605.73; 1745.00]	J/mol×K	[961.97; 1178.28]
Cp,gas	1605.73	J/mol×K	961.97	Joback Calculated Property
Cp,gas	1631.31	J/mol×K	998.02	Joback Calculated Property
Cp,gas	1655.72	J/mol×K	1034.07	Joback Calculated Property
Cp,gas	1679.13	J/mol×K	1070.13	Joback Calculated Property
Cp,gas	1701.71	J/mol×K	1106.18	Joback Calculated Property
Cp,gas	1723.61	J/mol×K	1142.23	Joback Calculated Property
Cp,gas	1745.00	J/mol×K	1178.28	Joback Calculated Property

Similar Compounds

Find more compounds similar to (7E)-2-(3,4-dimethylpentyl)-3,6,9,12,16,17-hexamethyl-13-methylene-9-vinyl-1,7,17-octadecatriene.

Sources

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

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