Chemical Properties of (2E,6E)-3,7,11-Trimethyldodeca-2,6,10-trien-1-yl stearate (CAS 69624-82-4)

InChI

InChI=1S/C33H60O2/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-27-33(34)35-29-28-32(5)26-22-25-31(4)24-21-23-30(2)3/h23,25,28H,6-22,24,26-27,29H2,1-5H3/b31-25+,32-28+

InChI Key

YQPQEVWUUVTRQA-XPYMXISMSA-N

Formula

C33H60O2

SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC=C(C)CCC=C(C)CCC=C(C)C

Molecular Weight¹

488.83

CAS

69624-82-4

• 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	1.1613		Relay (... Calculated Property
ΔfG°	208.07	kJ/mol	Joback Calculated Property
ΔfH°gas	-853.61	kJ/mol	Relay (... Calculated Property
ΔfusH°	80.69	kJ/mol	Joback Calculated Property
ΔvapH°	138.64	kJ/mol	Relay (... Calculated Property
IE	8.29	eV	Relay (... Calculated Property
log10WS	-9.77		Relay (... Calculated Property
logPoct/wat	11.210		Crippen Calculated Property
McVol	470.370	ml/mol	McGowan Calculated Property
Pc	575.36	kPa	Joback Calculated Property
Inp	[3446.50; 3446.50]
Inp	3446.50		NIST
Inp	3446.50		NIST
Tboil	684.86	K	Relay (... Calculated Property
Tc	869.83	K	Relay (... Calculated Property
Tfus	273.88	K	Relay (... Calculated Property
Vc	1.733	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1666.03; 1813.45]	J/mol×K	[1042.85; 1297.20]
Cp,gas	1666.03	J/mol×K	1042.85	Joback Calculated Property
Cp,gas	1693.36	J/mol×K	1085.24	Joback Calculated Property
Cp,gas	1719.29	J/mol×K	1127.63	Joback Calculated Property
Cp,gas	1744.06	J/mol×K	1170.02	Joback Calculated Property
Cp,gas	1767.87	J/mol×K	1212.42	Joback Calculated Property
Cp,gas	1790.93	J/mol×K	1254.81	Joback Calculated Property
Cp,gas	1813.45	J/mol×K	1297.20	Joback Calculated Property

Similar Compounds

Find more compounds similar to (2E,6E)-3,7,11-Trimethyldodeca-2,6,10-trien-1-yl stearate.

Sources

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

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