Chemical Properties of (2E,6E)-Methyl-3,7,11-trimethyl-10-oxododecadienoate

InChI

InChI=1S/C16H24O3/c1-12(2)15(17)10-9-13(3)7-6-8-14(4)11-16(18)19-5/h7,11H,1,6,8-10H2,2-5H3/b13-7+,14-11+

InChI Key

GDSCSZUNCRRICU-FYCHQBGDSA-N

Formula

C16H24O3

SMILES

C=C(C)C(=O)CCC(C)=CCCC(C)=CC(=O)OC

Molecular Weight¹

264.36

• 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.
• 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°	-56.37	kJ/mol	Joback Calculated Property
ΔfH°gas	-400.45	kJ/mol	Joback Calculated Property
ΔfusH°	36.78	kJ/mol	Joback Calculated Property
ΔvapH°	66.60	kJ/mol	Joback Calculated Property
log10WS	-4.22		Crippen Calculated Property
logPoct/wat	3.758		Crippen Calculated Property
McVol	232.410	ml/mol	McGowan Calculated Property
Pc	1620.68	kPa	Joback Calculated Property
Inp	[1895.00; 1895.00]
Inp	1895.00		NIST
Inp	1895.00		NIST
Tboil	700.28	K	Joback Calculated Property
Tc	895.05	K	Joback Calculated Property
Tfus	338.37	K	Joback Calculated Property
Vc	0.905	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[633.30; 716.10]	J/mol×K	[700.28; 895.05]
Cp,gas	633.30	J/mol×K	700.28	Joback Calculated Property
Cp,gas	649.07	J/mol×K	732.74	Joback Calculated Property
Cp,gas	664.00	J/mol×K	765.20	Joback Calculated Property
Cp,gas	678.11	J/mol×K	797.66	Joback Calculated Property
Cp,gas	691.47	J/mol×K	830.12	Joback Calculated Property
Cp,gas	704.12	J/mol×K	862.58	Joback Calculated Property
Cp,gas	716.10	J/mol×K	895.05	Joback Calculated Property

Similar Compounds

Find more compounds similar to (2E,6E)-Methyl-3,7,11-trimethyl-10-oxododecadienoate.

Sources

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

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