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

• 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.
• 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
ΔfG°	-160.67	kJ/mol	Joback Calculated Property
ΔfH°gas	-469.21	kJ/mol	Joback Calculated Property
ΔfusH°	20.39	kJ/mol	Joback Calculated Property
ΔvapH°	65.83	kJ/mol	Joback Calculated Property
log10WS	-2.55		Crippen 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	639.48	K	Joback Calculated Property
Tc	825.98	K	Joback Calculated Property
Tfus	324.60	K	Joback Calculated Property
Vc	0.696	m3/kmol	Joback 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

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.