Chemical Properties of Pentadeca-2,5E,13-triene, 7-acetoxymethyl-2,6,10,14-tetramethyl-10-17-epoxy (Peucelinenoxide acetate)

InChI

InChI=1S/C22H36O3/c1-17(2)9-7-11-20-16-25-22(6,13-8-10-18(3)4)14-12-21(20)15-24-19(5)23/h9-11,21H,7-8,12-16H2,1-6H3/b20-11+

InChI Key

HWOJVASMJVEOSP-RGVLZGJSSA-N

Formula

C22H36O3

SMILES

CC(=O)OCC1CCC(C)(CCC=C(C)C)OCC1=CCC=C(C)C

Molecular Weight¹

348.52

• 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	0.5864		Relay (1.0) Calculated Property
ΔfG°	2.27	kJ/mol	Joback Calculated Property
ΔfH°gas	-663.25	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	46.12	kJ/mol	Joback Calculated Property
ΔvapH°	101.13	kJ/mol	Relay (1.0) Calculated Property
IE	7.77	eV	Relay (1.0) Calculated Property
log10WS	-4.38		Relay (1.0) Calculated Property
logPoct/wat	5.764		Crippen Calculated Property
McVol	310.390	ml/mol	McGowan Calculated Property
Pc	1182.53	kPa	Joback Calculated Property
Inp	[2350.00; 2350.00]
Inp	2350.00		NIST
Inp	2350.00		NIST
Tboil	629.10	K	Relay (1.0) Calculated Property
Tc	812.48	K	Relay (1.0) Calculated Property
Tfus	293.94	K	Relay (1.0) Calculated Property
Vc	1.060	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[992.77; 1115.25]	J/mol×K	[840.11; 1051.97]
Cp,gas	992.77	J/mol×K	840.11	Joback Calculated Property
Cp,gas	1014.58	J/mol×K	875.42	Joback Calculated Property
Cp,gas	1035.64	J/mol×K	910.73	Joback Calculated Property
Cp,gas	1056.11	J/mol×K	946.04	Joback Calculated Property
Cp,gas	1076.10	J/mol×K	981.35	Joback Calculated Property
Cp,gas	1095.77	J/mol×K	1016.66	Joback Calculated Property
Cp,gas	1115.25	J/mol×K	1051.97	Joback Calculated Property

Similar Compounds

Find more compounds similar to Pentadeca-2,5E,13-triene, 7-acetoxymethyl-2,6,10,14-tetramethyl-10-17-epoxy (Peucelinenoxide acetate).

Sources

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

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