Chemical Properties of (2E,6E)-Methyl-10-hydroxy-3,7,11-trimethyldodeca-2,6,11-trienoate

InChI

InChI=1S/C16H26O3/c1-12(2)15(17)10-9-13(3)7-6-8-14(4)11-16(18)19-5/h7,11,15,17H,1,6,8-10H2,2-5H3/b13-7+,14-11+

InChI Key

XCDIUVKHQADBDV-FYCHQBGDSA-N

Formula

C16H26O3

SMILES

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

Molecular Weight¹

266.38

• 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°	-66.71	kJ/mol	Joback Calculated Property
ΔfH°gas	-445.38	kJ/mol	Joback Calculated Property
ΔfusH°	35.74	kJ/mol	Joback Calculated Property
ΔvapH°	76.14	kJ/mol	Joback Calculated Property
log10WS	-4.32		Crippen Calculated Property
logPoct/wat	3.549		Crippen Calculated Property
McVol	236.710	ml/mol	McGowan Calculated Property
Pc	1670.06	kPa	Joback Calculated Property
Inp	[2017.00; 2017.00]
Inp	2017.00		NIST
Inp	2017.00		NIST
Tboil	738.15	K	Joback Calculated Property
Tc	923.71	K	Joback Calculated Property
Tfus	334.26	K	Joback Calculated Property
Vc	0.912	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[676.87; 754.97]	J/mol×K	[738.15; 923.71]
Cp,gas	676.87	J/mol×K	738.15	Joback Calculated Property
Cp,gas	691.60	J/mol×K	769.08	Joback Calculated Property
Cp,gas	705.59	J/mol×K	800.00	Joback Calculated Property
Cp,gas	718.88	J/mol×K	830.93	Joback Calculated Property
Cp,gas	731.51	J/mol×K	861.85	Joback Calculated Property
Cp,gas	743.52	J/mol×K	892.78	Joback Calculated Property
Cp,gas	754.97	J/mol×K	923.71	Joback Calculated Property

Similar Compounds

Find more compounds similar to (2E,6E)-Methyl-10-hydroxy-3,7,11-trimethyldodeca-2,6,11-trienoate.

Sources

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

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