Chemical Properties of «alpha»-Kessyl hexanoate

«alpha»-Kessyl hexanoate

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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-/m1/s1
InChI Key
MNBLJUIWDVQHEP-AYNZCFQGSA-N
Formula
C21H36O3
SMILES
CCCCCC(=O)OC1CC2(C)OC(C)(C)C1CC1C(C)CCC12
Molecular Weight1
336.51
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Physical Properties

Property Value Unit Source
ΔfG° -89.97 kJ/mol Joback Calculated Property
ΔfH°gas -704.53 kJ/mol Joback Calculated Property
ΔfusH° 40.70 kJ/mol Joback Calculated Property
ΔvapH° 72.72 kJ/mol Joback Calculated Property
log10WS -5.62 Crippen Calculated Property
logPoct/wat 5.118 Crippen Calculated Property
McVol 287.480 ml/mol McGowan Calculated Property
Pc 1299.53 kPa Joback Calculated Property
Inp 2070.00 NIST
Tboil 797.95 K Joback Calculated Property
Tc 1009.51 K Joback Calculated Property
Tfus 499.26 K Joback Calculated Property
Vc 1.095 m3/kmol Joback Calculated Property

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. (1S,4R,5R)-1,3,3-Trimethyl-2-oxabicyclo[2.2.2]octan-5-yl acetate. trans-3-acetoxy-1,8-cineole. cis-3-acetoxy-1,8-cineole. 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»)-. Isoursodeoxycholic acid, acetate-methyl ester. Isochenodeoxycholic acid, acetate-methyl ester.

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

Sources

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