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

• 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.
• 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
ΔfG°	99.88	kJ/mol	Joback Calculated Property
ΔfH°gas	-232.78	kJ/mol	Joback Calculated Property
ΔfusH°	21.20	kJ/mol	Joback Calculated Property
ΔvapH°	57.18	kJ/mol	Joback Calculated Property
log10WS	-4.11		Crippen 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	642.02	K	Joback Calculated Property
Tc	854.93	K	Joback Calculated Property
Tfus	331.84	K	Joback Calculated Property
Vc	0.830	m3/kmol	Joback 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

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

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