Chemical Properties of Methyl elema-1,4(15),11(13)-trien-12-oate

InChI

InChI=1S/C16H24O2/c1-7-16(5)9-8-13(10-14(16)11(2)3)12(4)15(17)18-6/h7,13-14H,1-2,4,8-10H2,3,5-6H3/t13-,14?,16-/m0/s1

InChI Key

LOTOZEIGRXLACH-SFIRGFGWSA-N

Formula

C16H24O2

SMILES

C=CC1(C)CCC(C(=C)C(=O)OC)CC1C(=C)C

Molecular Weight¹

248.36

• 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.
• I : 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	0.4413		Relay (... Calculated Property
ΔfG°	99.88	kJ/mol	Joback Calculated Property
ΔfH°gas	-299.68	kJ/mol	Relay (... Calculated Property
ΔfusH°	21.20	kJ/mol	Joback Calculated Property
ΔvapH°	76.93	kJ/mol	Relay (... Calculated Property
IE	8.90	eV	Relay (... Calculated Property
log10WS	-4.16		Relay (... Calculated Property
logPoct/wat	3.900		Crippen Calculated Property
McVol	219.980	ml/mol	McGowan Calculated Property
Pc	1753.60	kPa	Joback Calculated Property
Inp	[1666.00; 1666.00]
Inp	1666.00		NIST
Inp	1666.00		NIST
I	[2149.00; 2149.00]
I	2149.00		NIST
I	2149.00		NIST
Tboil	554.45	K	Relay (... Calculated Property
Tc	755.40	K	Relay (... Calculated Property
Tfus	266.06	K	Relay (... Calculated Property
Vc	0.724	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[600.86; 709.98]	J/mol×K	[642.02; 854.93]
Cp,gas	600.86	J/mol×K	642.02	Joback Calculated Property
Cp,gas	621.40	J/mol×K	677.50	Joback Calculated Property
Cp,gas	640.85	J/mol×K	712.99	Joback Calculated Property
Cp,gas	659.32	J/mol×K	748.47	Joback Calculated Property
Cp,gas	676.92	J/mol×K	783.96	Joback Calculated Property
Cp,gas	693.77	J/mol×K	819.44	Joback Calculated Property
Cp,gas	709.98	J/mol×K	854.93	Joback Calculated Property

Similar Compounds

Find more compounds similar to Methyl elema-1,4(15),11(13)-trien-12-oate.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.