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
I 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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [589.11; 666.26] J/mol×K [666.93; 851.26] Show Hide
Cp,gas 589.11 J/mol×K 666.93 Joback Calculated Property
Cp,gas 603.93 J/mol×K 697.65 Joback Calculated Property
Cp,gas 617.91 J/mol×K 728.37 Joback Calculated Property
Cp,gas 631.09 J/mol×K 759.09 Joback Calculated Property
Cp,gas 643.52 J/mol×K 789.82 Joback Calculated Property
Cp,gas 655.23 J/mol×K 820.54 Joback Calculated Property
Cp,gas 666.26 J/mol×K 851.26 Joback 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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