Chemical Properties of (E, E)-5-Hydroxy-3,7,11-trimethyldodeca-2,6,10-trien-1-yl acetate

InChI

InChI=1S/C17H28O3/c1-13(2)7-6-8-14(3)11-17(19)12-15(4)9-10-20-16(5)18/h7,9,11,17,19H,6,8,10,12H2,1-5H3/b14-11+,15-9+

InChI Key

WYRDKICJTLYOPH-SROZLARBSA-N

Formula

C17H28O3

SMILES

CC(=O)OCC=C(C)CC(O)C=C(C)CCC=C(C)C

Molecular Weight¹

280.40

• 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°	-65.91	kJ/mol	Joback Calculated Property
ΔfH°gas	-474.23	kJ/mol	Joback Calculated Property
ΔfusH°	39.81	kJ/mol	Joback Calculated Property
ΔvapH°	79.00	kJ/mol	Joback Calculated Property
log10WS	-4.74		Crippen Calculated Property
logPoct/wat	3.940		Crippen Calculated Property
McVol	250.800	ml/mol	McGowan Calculated Property
Pc	1558.58	kPa	Joback Calculated Property
Inp	[1959.00; 1959.00]
Inp	1959.00		NIST
Inp	1959.00		NIST
Tboil	768.51	K	Joback Calculated Property
Tc	956.99	K	Joback Calculated Property
Tfus	342.21	K	Joback Calculated Property
Vc	0.968	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[733.92; 814.93]	J/mol×K	[768.51; 956.99]
Cp,gas	733.92	J/mol×K	768.51	Joback Calculated Property
Cp,gas	749.13	J/mol×K	799.92	Joback Calculated Property
Cp,gas	763.58	J/mol×K	831.34	Joback Calculated Property
Cp,gas	777.34	J/mol×K	862.75	Joback Calculated Property
Cp,gas	790.45	J/mol×K	894.17	Joback Calculated Property
Cp,gas	802.96	J/mol×K	925.58	Joback Calculated Property
Cp,gas	814.93	J/mol×K	956.99	Joback Calculated Property

Similar Compounds

Find more compounds similar to (E, E)-5-Hydroxy-3,7,11-trimethyldodeca-2,6,10-trien-1-yl acetate.

Sources

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

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