Chemical Properties of 5-hydroxy-isobornyl butyrate

5-hydroxy-isobornyl butyrate

InChI
InChI=1S/C14H24O3/c1-5-6-12(16)17-11-7-9-10(15)8-14(11,4)13(9,2)3/h9-11,15H,5-8H2,1-4H3/t9?,10?,11-,14?/m0/s1
InChI Key
ZGBYUSKULPTYKK-DGVZPSOQSA-N
Formula
C14H24O3
SMILES
CCCC(=O)OC1CC2C(O)CC1(C)C2(C)C
Molecular Weight1
240.34
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Physical Properties

Property Value Unit Source
ω 0.6201 Relay (1.0) Calculated Property
Δf -228.45 kJ/mol Joback Calculated Property
Δfgas -685.73 kJ/mol Relay (1.0) Calculated Property
Δfus 23.68 kJ/mol Joback Calculated Property
Δvap 91.81 kJ/mol Relay (1.0) Calculated Property
IE 9.01 eV Relay (1.0) Calculated Property
log10WS -2.39 Relay (1.0) Calculated Property
logPoct/wat 2.515 Crippen Calculated Property
McVol 199.710 ml/mol McGowan Calculated Property
Pc 2167.36 kPa Joback Calculated Property
Inp 1661.00 NIST
Tboil 547.66 K Relay (1.0) Calculated Property
Tc 800.83 K Relay (1.0) Calculated Property
Tfus 404.77 K Relay (1.0) Calculated Property
Vc 0.717 m3/kmol Relay (1.0) Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [609.43; 706.06] J/mol×K [692.41; 888.83] Show Hide
Cp,gas 609.43 J/mol×K 692.41 Joback Calculated Property
Cp,gas 626.22 J/mol×K 725.15 Joback Calculated Property
Cp,gas 642.53 J/mol×K 757.88 Joback Calculated Property
Cp,gas 658.50 J/mol×K 790.62 Joback Calculated Property
Cp,gas 674.30 J/mol×K 823.36 Joback Calculated Property
Cp,gas 690.10 J/mol×K 856.09 Joback Calculated Property
Cp,gas 706.06 J/mol×K 888.83 Joback Calculated Property

Similar Compounds

5Alpha-androstan-16beta-ylacetic acid lactone, 3beta,17beta-dihydroxy-. 5Beta-androstan-16beta-ylacetic acid lactone, 3beta,17beta-dihydroxy-. Butanoic acid, 1,7,7-trimethylbicyclo[2.2.1]hept-2-yl ester, endo-. Bornyl butyrate. Isobornyl caprate. Bornyl hexanoate. Isobornyl laureate. Bornyl 2-methylbutanoate. Butanoic acid, 2-methyl, bornyl ester. isobornyl2-methylbutanoate. (3S,3aS,6R,7R,9aS)-6-Hydroxy-1,1,7-trimethyldecahydro-3a,7-methanocyclopenta[8]annulen-3-yl acetate. Pentanoic acid, 1,7,7-trimethylbicyclo[2.2.1]hept-2-yl ester, endo-. Bornyl isovalerate. Isobornyl isovalerate. Butanoic acid, 3-methyl-, 1,7,7-trimethylbicyclo[2.2.1]hept-2-yl ester, exo-.

Find more compounds similar to 5-hydroxy-isobornyl butyrate.

Sources

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