Chemical Properties of (2E,6E)-Methyl 10,11-dihydroxy-3,7,11-trimethyldodeca-2,6-dienoate (CAS 36999-94-7)

InChI

InChI=1S/C16H28O4/c1-12(9-10-14(17)16(3,4)19)7-6-8-13(2)11-15(18)20-5/h7,11,14,17,19H,6,8-10H2,1-5H3/b12-7+,13-11+

InChI Key

MBJDYYPZJXVUHJ-ZPLWXOMKSA-N

Formula

C16H28O4

SMILES

COC(=O)C=C(C)CCC=C(C)CCC(O)C(C)(C)O

Molecular Weight¹

284.39

CAS

36999-94-7

• 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°	-279.98	kJ/mol	Joback Calculated Property
ΔfH°gas	-722.00	kJ/mol	Joback Calculated Property
ΔfusH°	35.01	kJ/mol	Joback Calculated Property
ΔvapH°	92.12	kJ/mol	Joback Calculated Property
log10WS	-3.84		Crippen Calculated Property
logPoct/wat	2.744		Crippen Calculated Property
McVol	246.880	ml/mol	McGowan Calculated Property
Pc	1760.97	kPa	Joback Calculated Property
Inp	[1788.10; 1788.10]
Inp	1788.10		NIST
Inp	1788.10		NIST
Tboil	830.54	K	Joback Calculated Property
Tc	1021.48	K	Joback Calculated Property
Tfus	413.22	K	Joback Calculated Property
Vc	0.939	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[765.36; 837.08]	J/mol×K	[830.54; 1021.48]
Cp,gas	765.36	J/mol×K	830.54	Joback Calculated Property
Cp,gas	778.82	J/mol×K	862.36	Joback Calculated Property
Cp,gas	791.60	J/mol×K	894.19	Joback Calculated Property
Cp,gas	803.76	J/mol×K	926.01	Joback Calculated Property
Cp,gas	815.35	J/mol×K	957.84	Joback Calculated Property
Cp,gas	826.44	J/mol×K	989.66	Joback Calculated Property
Cp,gas	837.08	J/mol×K	1021.48	Joback Calculated Property

Similar Compounds

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

Sources

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

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