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

Fragranyl 2-methylbutyrate

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
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Physical Properties

Property Value Unit Source
ΔfH°gas -494.09 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 23.67 kJ/mol Joback Calculated Property
ΔvapH° 70.45 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 3.958 Crippen Calculated Property
McVol 214.490 ml/mol McGowan Calculated Property
Inp 1574.90 NIST

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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [300.06; 768.56] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A-8.91170e+01
Coefficient B1.76658e+00
Coefficient C-1.37700e-03
Coefficient D4.68100e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 300.06 J/mol×K 273.00 Calculated Property
Cp,gas 384.24 J/mol×K 353.78 Calculated Property
Cp,gas 456.94 J/mol×K 434.56 Calculated Property
Cp,gas 519.64 J/mol×K 515.33 Calculated Property
Cp,gas 573.80 J/mol×K 596.11 Calculated Property
Cp,gas 620.92 J/mol×K 676.89 Calculated Property
Cp,gas 662.48 J/mol×K 757.67 Calculated Property
Cp,gas 699.95 J/mol×K 838.44 Calculated Property
Cp,gas 734.82 J/mol×K 919.22 Calculated Property
Cp,gas 768.56 J/mol×K 1000.00 Calculated Property

Similar Compounds

Fragranyl isobutyrate. Fragranyl isovaalerate. Fragranyl propanoate. Fragranyl acetate. (1R,3R)-3-isopropenyl-2,2-dimethylcyclobutylmethyl 3-methyl-3-butenoate. 3-isopropenyl-2,2-dimethylcyclobutanemethyl acetate. 14-Acetoxy-4,5-dihydro- .beta.-caryophyllene. Myrtenyl 2-methyl butyrate. (3R,3aR,4aR,8aS,9aR)-3,8a-Dimethyl-5-methylenedecahydronaphtho[2,3-b]furan-2(3H)-one. 10-epi-Italicen-12-yl 2-methylbutyrate. Italicen-12-yl 2-methylbutyrate. Lavandulyle 2-methylbutyrate. [14C4]GA15 methyl ester TMS ether. Gibbane-1,10-dicarboxylic acid, 4a-(hydroxymethyl)-1-methyl-8-methylene-, 1,4a-lactone, 10-methyl ester, (1«alpha»,4a«alpha»,4b«beta»,10«beta»)-. [14C] GA15, methyl ester.

Find more compounds similar to Fragranyl 2-methylbutyrate.

Sources

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