Chemical Properties of Fragranyl 2-methylbutyrate (CAS 51117-24-9)

InChI

InChI=1S/C15H26O2/c1-6-12(4)14(16)17-10-9-15(5)8-7-13(15)11(2)3/h12-13H,2,6-10H2,1,3-5H3

InChI Key

NRIGIDJZDUBPCH-UHFFFAOYSA-N

Formula

C15H26O2

SMILES

C=C(C)C1CCC1(C)CCOC(=O)C(C)CC

Molecular Weight¹

238.37

CAS

51117-24-9

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, 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	[578.52; 681.61]	J/mol×K	[603.72; 798.01]
Cp,gas	578.52	J/mol×K	603.72	Joback Calculated Property
Cp,gas	597.92	J/mol×K	636.10	Joback Calculated Property
Cp,gas	616.30	J/mol×K	668.48	Joback Calculated Property
Cp,gas	633.77	J/mol×K	700.86	Joback Calculated Property
Cp,gas	650.41	J/mol×K	733.24	Joback Calculated Property
Cp,gas	666.33	J/mol×K	765.62	Joback Calculated Property
Cp,gas	681.61	J/mol×K	798.01	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fragranyl 2-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.
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