Chemical Properties of Fragranyl acetate (CAS 51117-22-7)

Fragranyl acetate

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InChI
InChI=1S/C12H20O2/c1-9(2)11-5-6-12(11,4)7-8-14-10(3)13/h11H,1,5-8H2,2-4H3
InChI Key
HOTBFDJPUVYSFO-UHFFFAOYSA-N
Formula
C12H20O2
SMILES
C=C(C)C1CCC1(C)CCOC(C)=O
Molecular Weight1
196.29
CAS
51117-22-7
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Physical Properties

Property Value Unit Source
Δf -69.02 kJ/mol Joback Calculated Property
Δfgas -358.63 kJ/mol Joback Calculated Property
Δfus 17.84 kJ/mol Joback Calculated Property
Δvap 49.50 kJ/mol Joback Calculated Property
log10WS -2.97 Crippen Calculated Property
logPoct/wat 2.932 Crippen Calculated Property
McVol 172.220 ml/mol McGowan Calculated Property
Pc 2246.13 kPa Joback Calculated Property
Inp 1345.00 NIST
Tboil 553.39 K Joback Calculated Property
Tc 754.20 K Joback Calculated Property
Tfus 315.52 K Joback Calculated Property
Vc 0.659 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [431.45; 522.41] J/mol×K [553.39; 754.20] Show Hide
Cp,gas 431.45 J/mol×K 553.39 Joback Calculated Property
Cp,gas 448.67 J/mol×K 586.86 Joback Calculated Property
Cp,gas 464.94 J/mol×K 620.33 Joback Calculated Property
Cp,gas 480.35 J/mol×K 653.79 Joback Calculated Property
Cp,gas 495.01 J/mol×K 687.26 Joback Calculated Property
Cp,gas 508.99 J/mol×K 720.73 Joback Calculated Property
Cp,gas 522.41 J/mol×K 754.20 Joback Calculated Property

Similar Compounds

Fragranyl propanoate. Fragranyl isobutyrate. Fragranyl isovaalerate. Fragranyl 2-methylbutyrate. 3-isopropenyl-2,2-dimethylcyclobutanemethyl acetate. 2-(2,2-dimethyl-6-methylenecyclohexyl)-ethyl acetate. 14-Acetoxy-4,5-dihydro- «beta»-caryophyllene. Cyclobutaneethanol, 1-methyl-2-(1-methylethenyl)-, trans-. Cyclobutaneethanol, 1-methyl-2-(1-methylethenyl)-, trans-. (1R,3R)-3-isopropenyl-2,2-dimethylcyclobutylmethyl 3-methyl-3-butenoate. Birkenyl acetate. Ziza-6(13)-en-12-yl acetate. Nopyl acetate. 9-Isopropenyl-7,7,8-trimethyl-4-oxatricyclo[6.1.0]nonane. (+)-12-Acetoxygymnomitr-3(15)-ene.

Find more compounds similar to Fragranyl acetate.

Sources

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