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

InChI

InChI=1S/C34H64/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/h13,20,22,25-32H,1,14-19,21,23-24H2,2-12H3/b22-20+

InChI Key

MXZICHDKCVIUPH-LSDHQDQOSA-N

Formula

C34H64

SMILES

C=CC(C)(C=CC(C)CCC(C)C(C)CCC(C)C(C)C)CCC(C)C1CCC(C)C(C)(C)C1

Molecular Weight¹

472.87

• 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	0.7328		Relay (... Calculated Property
ΔfG°	395.20	kJ/mol	Joback Calculated Property
ΔfH°gas	-594.15	kJ/mol	Relay (... Calculated Property
ΔfusH°	41.86	kJ/mol	Joback Calculated Property
ΔvapH°	116.87	kJ/mol	Relay (... Calculated Property
IE	8.73	eV	Relay (... Calculated Property
log10WS	-10.44		Relay (... Calculated Property
logPoct/wat	11.374		Crippen Calculated Property
McVol	470.460	ml/mol	McGowan Calculated Property
Pc	584.29	kPa	Joback Calculated Property
Inp	[2770.00; 2770.00]
Inp	2770.00		NIST
Inp	2770.00		NIST
Tboil	688.98	K	Relay (... Calculated Property
Tc	868.61	K	Relay (... Calculated Property
Tfus	296.86	K	Relay (... Calculated Property
Vc	1.639	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1710.18; 1889.59]	J/mol×K	[982.74; 1203.15]
Cp,gas	1710.18	J/mol×K	982.74	Joback Calculated Property
Cp,gas	1740.97	J/mol×K	1019.47	Joback Calculated Property
Cp,gas	1771.10	J/mol×K	1056.21	Joback Calculated Property
Cp,gas	1800.79	J/mol×K	1092.94	Joback Calculated Property
Cp,gas	1830.28	J/mol×K	1129.68	Joback Calculated Property
Cp,gas	1859.80	J/mol×K	1166.41	Joback Calculated Property
Cp,gas	1889.59	J/mol×K	1203.15	Joback Calculated Property

Similar Compounds

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

Sources

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

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