Chemical Properties of .alpha.-Kessyl hexanoate

.alpha.-Kessyl hexanoate

InChI
InChI=1S/C21H36O3/c1-6-7-8-9-19(22)23-18-13-21(5)16-11-10-14(2)15(16)12-17(18)20(3,4)24-21/h14-18H,6-13H2,1-5H3/t14-,15?,16?,17+,18+,21-/m0/s1
InChI Key
MNBLJUIWDVQHEP-AYNZCFQGSA-N
Formula
C21H36O3
SMILES
CCCCCC(=O)O[C@@H]1C[C@]2(C)OC(C)(C)[C@@H]1CC1C2CC[C@@H]1C
Molecular Weight1
336.52
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Physical Properties

Property Value Unit Source
ΔfusH° 40.70 kJ/mol Joback Calculated Property
logPoct/wat 5.118 Crippen Calculated Property
McVol 287.480 ml/mol McGowan Calculated Property
Inp 2070.00 NIST

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Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [976.80; 1122.29] J/mol×K [797.95; 1009.51] Show Hide
Cp,gas 976.80 J/mol×K 797.95 Joback Calculated Property
Cp,gas 1001.52 J/mol×K 833.21 Joback Calculated Property
Cp,gas 1025.75 J/mol×K 868.47 Joback Calculated Property
Cp,gas 1049.72 J/mol×K 903.73 Joback Calculated Property
Cp,gas 1073.64 J/mol×K 938.99 Joback Calculated Property
Cp,gas 1097.76 J/mol×K 974.25 Joback Calculated Property
Cp,gas 1122.29 J/mol×K 1009.51 Joback Calculated Property

Similar Compounds

.alpha.-Kessyl isovalerate. Kessanyl acetate. «alpha»-Kessyl acetate. .alpha.-Kessyl acetate. trans-3-acetoxy-1,8-cineole. cis-3-acetoxy-1,8-cineole. (1S,4R,5R)-1,3,3-Trimethyl-2-oxabicyclo[2.2.2]octan-5-yl acetate. Kessoglycyl monoacetate. Menthyl valerate. Butanoic acid, 3-methyl-, 5-methyl-2-(1-methylethyl)cyclohexyl ester, (1«alpha»,2«beta»,5«alpha»)-. Homooursodeoxycholic acid, acetate-methyl ester. Homochenodeoxycholic acid, acetate-methyl ester. Cholan-24-oic acid, 3,7-bis(acetyloxy)-, methyl ester, (3«alpha»,5«beta»,7«alpha»)-. Cholan-24-oic acid, 3,7-bis(acetyloxy)-, methyl ester, (3«alpha»,5«beta»,7«beta»)-. Isoursodeoxycholic acid, acetate-methyl ester.

Find more compounds similar to .alpha.-Kessyl hexanoate.

Sources

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