Chemical Properties of «alpha»-caryophylene acetate

«alpha»-caryophylene acetate

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InChI
InChI=1S/C17H26O2/c1-13-8-9-16(19-15(3)18)14(2)7-6-11-17(4,5)12-10-13/h6,10-11,16H,2,7-9,12H2,1,3-5H3/b11-6+,13-10+
InChI Key
KNKUCEKTTLJYCQ-PIUHNEHMSA-N
Formula
C17H26O2
SMILES
C=C1CC=CC(C)(C)CC=C(C)CCC1OC(C)=O
Molecular Weight1
262.39
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Physical Properties

Property Value Unit Source
Δf -87.54 kJ/mol Joback Calculated Property
Δfgas -432.26 kJ/mol Joback Calculated Property
Δfus 19.58 kJ/mol Joback Calculated Property
Δvap 63.83 kJ/mol Joback Calculated Property
log10WS -5.13 Crippen Calculated Property
logPoct/wat 4.577 Crippen Calculated Property
McVol 234.070 ml/mol McGowan Calculated Property
Pc 1756.54 kPa Joback Calculated Property
Inp [1686.20; 1686.20]   Show Hide
Inp 1686.20 NIST
Inp 1686.20 NIST
Tboil 703.58 K Joback Calculated Property
Tc 933.00 K Joback Calculated Property
Tfus 390.67 K Joback Calculated Property
Vc 0.858 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [669.47; 787.02] J/mol×K [703.58; 933.00] Show Hide
Cp,gas 669.47 J/mol×K 703.58 Joback Calculated Property
Cp,gas 692.05 J/mol×K 741.82 Joback Calculated Property
Cp,gas 713.35 J/mol×K 780.05 Joback Calculated Property
Cp,gas 733.42 J/mol×K 818.29 Joback Calculated Property
Cp,gas 752.34 J/mol×K 856.53 Joback Calculated Property
Cp,gas 770.18 J/mol×K 894.76 Joback Calculated Property
Cp,gas 787.02 J/mol×K 933.00 Joback Calculated Property

Similar Compounds

(6R)-Hydroxy-«alpha»-humulene acetate. Humulenol I. 6-Acetoxy-«alpha»-humulene. trans-Carveyl acetate. 2-Cyclohexen-1-ol, 2-methyl-5-(1-methylethenyl)-, acetate. 2-Cyclohexen-1-ol, 2-methyl-5-(1-methylethenyl)-, acetate, cis-. Carvyl propionate, cis-. 2-Cyclohexen-1-ol, 2-methyl-5-(1-methylethenyl)-, propanoate. trans-Carvyl propionate. (6R)-Hydroxy-«beta»-caryophyllene acetate. caryophyllenyl acetate. Testosterone, 3,17«beta»-bisAc. Androst-5,9(11)-diene-3-«beta»,17-«beta»-diol, TFA. 5,22,25-Stigmastatrienol acetate. Guaia-1(10),11-dien-15,2-olide.

Find more compounds similar to «alpha»-caryophylene acetate.

Sources

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