Chemical Properties of (E)-5-Hydroxy-2-isopropenyl-5-methyl-hex-3-enyl isobutyrate

(E)-5-Hydroxy-2-isopropenyl-5-methyl-hex-3-enyl isobutyrate

InChI
InChI=1S/C14H24O3/c1-10(2)12(7-8-14(5,6)16)9-17-13(15)11(3)4/h7-8,11-12,16H,1,9H2,2-6H3/b8-7-
InChI Key
RGOXNJSZBDJLHQ-BQYQJAHWSA-N
Formula
C14H24O3
SMILES
C=C(C)C(/C=C/C(C)(C)O)COC(=O)C(C)C
Molecular Weight1
240.34
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Physical Properties

Property Value Unit Source
ΔfH°gas -644.90 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 23.63 kJ/mol Joback Calculated Property
ΔvapH° 82.61 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 2.705 Crippen Calculated Property
McVol 212.830 ml/mol McGowan Calculated Property
Pc 1840.41 kPa Joback Calculated Property
Inp 1488.00 NIST
Ip 2086.00 NIST
Tboil 530.28 K Relay (1.0) Calculated Property
Tc 718.43 K Relay (1.0) Calculated Property
Tfus 295.22 K Relay (1.0) Calculated Property

Cheméo can also estimate 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 [305.56; 711.56] 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-2.38390e+01
Coefficient B1.45060e+00
Coefficient C-9.60800e-04
Coefficient D2.45600e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 305.56 J/mol×K 273.00 Calculated Property
Cp,gas 379.97 J/mol×K 353.78 Calculated Property
Cp,gas 445.25 J/mol×K 434.56 Calculated Property
Cp,gas 502.16 J/mol×K 515.33 Calculated Property
Cp,gas 551.49 J/mol×K 596.11 Calculated Property
Cp,gas 594.01 J/mol×K 676.89 Calculated Property
Cp,gas 630.50 J/mol×K 757.67 Calculated Property
Cp,gas 661.74 J/mol×K 838.44 Calculated Property
Cp,gas 688.50 J/mol×K 919.22 Calculated Property
Cp,gas 711.56 J/mol×K 1000.00 Calculated Property

Similar Compounds

(E)-5-Hydroxy-2-isopropenyl-5-methylhex-3-enyl 2-methylbutyrate. (E)-5-Hydroxy-2-isopropenyl-5-methylhex-3-enyl acetate. (E)-5-Hydroxy-2-isopropenyl-5-methylhex-3-enyl 3-methylbutyrate. Pentadeca-2,5E,13-triene, 7-acetoxymethyl-2,6,10,14-tetramethyl-10-17-epoxy (Peucelinenoxide acetate). Lavandulyl 2-methylbutanoate. Pentadeca-2,5E,13-triene, 7-acetoxymethyl-10-methylene-2,6,14-trimethyl (Peucelinene acetate). [13C]GA5 methyl ester TMS ether. GA5, MeTMS. Eudesma-5,11(13)-dien-8,12-olide. 5,8a-Dimethyl-3-methylene-3,3a,6,7,8,8a,9,9a-octahydronaphtho[2,3-b]furan-2(5H)-one. GA68, MeTMSi. 2H-Cyclohepta[b]furan-2-one, 6-[1-(acetyloxy)-3-oxobutyl]-3,3a,4,7,8,8a-hexahydro-7-methyl-3-methylene-. GIBBERELLIC ACID. 3-Acetoxygermacra-1(10),5-dien-4-ol. LOVASTATIN.

Find more compounds similar to (E)-5-Hydroxy-2-isopropenyl-5-methyl-hex-3-enyl isobutyrate.

Sources

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