Chemical Properties of «alpha»-Kessyl isovalerate

«alpha»-Kessyl isovalerate

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InChI
InChI=1S/C20H34O3/c1-12(2)9-18(21)22-17-11-20(6)15-8-7-13(3)14(15)10-16(17)19(4,5)23-20/h12-17H,7-11H2,1-6H3/t13-,14?,15?,16+,17+,20-/m0/s1
InChI Key
AVQQNEGVZHARMH-QELXSKCRSA-N
Formula
C20H34O3
SMILES
CC(C)CC(=O)OC1CC2(C)OC(C)(C)C1CC1C(C)CCC12
Molecular Weight1
322.48
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Physical Properties

Property Value Unit Source
ΔfG° -100.83 kJ/mol Joback Calculated Property
ΔfH°gas -689.17 kJ/mol Joback Calculated Property
ΔfusH° 34.59 kJ/mol Joback Calculated Property
ΔvapH° 70.11 kJ/mol Joback Calculated Property
log10WS -4.96 Crippen Calculated Property
logPoct/wat 4.584 Crippen Calculated Property
McVol 273.390 ml/mol McGowan Calculated Property
Pc 1402.74 kPa Joback Calculated Property
Inp 1986.00 NIST
Tboil 774.63 K Joback Calculated Property
Tc 991.54 K Joback Calculated Property
Tfus 472.99 K Joback Calculated Property
Vc 1.034 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [915.26; 1058.88] J/mol×K [774.63; 991.54] Show Hide
Cp,gas 915.26 J/mol×K 774.63 Joback Calculated Property
Cp,gas 939.92 J/mol×K 810.78 Joback Calculated Property
Cp,gas 963.97 J/mol×K 846.93 Joback Calculated Property
Cp,gas 987.65 J/mol×K 883.09 Joback Calculated Property
Cp,gas 1011.21 J/mol×K 919.24 Joback Calculated Property
Cp,gas 1034.87 J/mol×K 955.39 Joback Calculated Property
Cp,gas 1058.88 J/mol×K 991.54 Joback Calculated Property

Similar Compounds

«alpha»-Kessyl hexanoate. 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. Norursodeoxycholic acid, acetate-methyl ester. Norchenodeoxycholic acid, acetate-methyl ester. 3-Acetoxy-7,8-epoxylanostan-11-ol. Norcholic acid, acetate-methyl ester. Homochenodeoxycholic acid, acetate-methyl ester. Homooursodeoxycholic acid, acetate-methyl ester. Cyclohexanemalonic acid, 4,4-dimethyl-alpha-hydroxy-2-(1-hydroxyethyl)-,gamma,delta-dilactone.

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

Sources

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