Chemical Properties of 1-[(5E)-1,4,7,10,14,15-hexamethyl-11-methylene-4-vinyl-5,15-hexadecadienyl]-3,3,4-trimethyl-1-cyclohexene, isomer # 1

InChI

InChI=1S/C34H58/c1-13-34(12,23-21-30(8)32-19-18-31(9)33(10,11)24-32)22-20-26(4)14-15-28(6)29(7)17-16-27(5)25(2)3/h13,20,22,24,26-28,30-31H,1-2,7,14-19,21,23H2,3-6,8-12H3/b22-20+

InChI Key

IBJRNORNAWSUOG-LSDHQDQOSA-N

Formula

C34H58

SMILES

C=CC(C)(C=CC(C)CCC(C)C(=C)CCC(C)C(=C)C)CCC(C)C1=CC(C)(C)C(C)CC1

Molecular Weight¹

466.82

• 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°	586.70	kJ/mol	Joback Calculated Property
ΔfH°gas	-205.50	kJ/mol	Joback Calculated Property
ΔfusH°	43.49	kJ/mol	Joback Calculated Property
ΔvapH°	86.46	kJ/mol	Joback Calculated Property
log10WS	-11.53		Crippen Calculated Property
logPoct/wat	11.135		Crippen Calculated Property
McVol	457.560	ml/mol	McGowan Calculated Property
Pc	623.44	kPa	Joback Calculated Property
Inp	[2745.00; 2748.00]
Inp	2745.00		NIST
Inp	2748.00		NIST
Tboil	985.55	K	Joback Calculated Property
Tc	1206.92	K	Joback Calculated Property
Tfus	417.40	K	Joback Calculated Property
Vc	1.746	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1613.52; 1790.43]	J/mol×K	[985.55; 1206.92]
Cp,gas	1613.52	J/mol×K	985.55	Joback Calculated Property
Cp,gas	1642.96	J/mol×K	1022.45	Joback Calculated Property
Cp,gas	1672.09	J/mol×K	1059.34	Joback Calculated Property
Cp,gas	1701.15	J/mol×K	1096.24	Joback Calculated Property
Cp,gas	1730.39	J/mol×K	1133.13	Joback Calculated Property
Cp,gas	1760.07	J/mol×K	1170.03	Joback Calculated Property
Cp,gas	1790.43	J/mol×K	1206.92	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1-[(5E)-1,4,7,10,14,15-hexamethyl-11-methylene-4-vinyl-5,15-hexadecadienyl]-3,3,4-trimethyl-1-cyclohexene, isomer # 1.

Sources

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

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