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

InChI

InChI=1S/C15H26O3/c1-11(2)9-14(16)18-10-13(12(3)4)7-8-15(5,6)17/h7-8,11,13,17H,3,9-10H2,1-2,4-6H3/b8-7+

InChI Key

GEUJVWYWFCONDI-BQYQJAHWSA-N

Formula

C15H26O3

SMILES

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

Molecular Weight¹

254.37

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	24.63	kJ/mol	Joback Calculated Property
logPoct/wat	3.095		Crippen Calculated Property
McVol	226.920	ml/mol	McGowan Calculated Property
Inp	1577.00		NIST
I	[2179.00; 2179.00]
I	2179.00		NIST
I	2179.00		NIST
Tboil	531.09	K	Relay (1.0) Calculated Property
Tc	726.88	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[648.76; 727.54]	J/mol×K	[707.68; 893.36]
Cp,gas	648.76	J/mol×K	707.68	Joback Calculated Property
Cp,gas	663.77	J/mol×K	738.63	Joback Calculated Property
Cp,gas	677.97	J/mol×K	769.57	Joback Calculated Property
Cp,gas	691.41	J/mol×K	800.52	Joback Calculated Property
Cp,gas	704.11	J/mol×K	831.47	Joback Calculated Property
Cp,gas	716.14	J/mol×K	862.41	Joback Calculated Property
Cp,gas	727.54	J/mol×K	893.36	Joback Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• 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.