Chemical Properties of (E)-5-Hydroxy-2-isopropenyl-5-methylhex-3-enyl acetate

InChI

InChI=1S/C12H20O3/c1-9(2)11(8-15-10(3)13)6-7-12(4,5)14/h6-7,11,14H,1,8H2,2-5H3/b7-6+

InChI Key

VJCYZSSRCAPSRC-VOTSOKGWSA-N

Formula

C12H20O3

SMILES

C=C(C)C(C=CC(C)(C)O)COC(C)=O

Molecular Weight¹

212.29

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.6470		Relay (... Calculated Property
ΔfG°	-160.67	kJ/mol	Joback Calculated Property
ΔfH°gas	-625.59	kJ/mol	Relay (... Calculated Property
ΔfusH°	20.39	kJ/mol	Joback Calculated Property
ΔvapH°	80.02	kJ/mol	Relay (... Calculated Property
IE	9.02	eV	Relay (... Calculated Property
log10WS	-1.43		Relay (... Calculated Property
logPoct/wat	2.069		Crippen Calculated Property
McVol	184.650	ml/mol	McGowan Calculated Property
Pc	2254.67	kPa	Joback Calculated Property
Inp	1351.00		NIST
I	[2022.00; 2022.00]
I	2022.00		NIST
I	2022.00		NIST
Tboil	522.57	K	Relay (... Calculated Property
Tc	694.07	K	Relay (... Calculated Property
Tfus	294.73	K	Relay (... Calculated Property
Vc	0.656	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[489.80; 559.72]	J/mol×K	[639.48; 825.98]
Cp,gas	489.80	J/mol×K	639.48	Joback Calculated Property
Cp,gas	503.16	J/mol×K	670.56	Joback Calculated Property
Cp,gas	515.78	J/mol×K	701.65	Joback Calculated Property
Cp,gas	527.71	J/mol×K	732.73	Joback Calculated Property
Cp,gas	538.99	J/mol×K	763.81	Joback Calculated Property
Cp,gas	549.64	J/mol×K	794.90	Joback Calculated Property
Cp,gas	559.72	J/mol×K	825.98	Joback Calculated Property

Similar Compounds

Find more compounds similar to (E)-5-Hydroxy-2-isopropenyl-5-methylhex-3-enyl acetate.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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