Chemical Properties of Valerianol acetate

Valerianol acetate

Download as PDF file Download as Excel file Download as 2D mole file Predict properties

InChI
InChI=1S/C17H28O2/c1-12-7-6-8-14-9-10-15(11-17(12,14)5)16(3,4)19-13(2)18/h8,12,15H,6-7,9-11H2,1-5H3/t12-,15-,17+/m0/s1
InChI Key
KWFVLNZOTCEVEH-YLQAJVPDSA-N
Formula
C17H28O2
SMILES
CC(=O)OC(C)(C)C1CCC2=CCCC(C)C2(C)C1
Molecular Weight1
264.40
Sources

Physical Properties

Property Value Unit Source
Δf -58.59 kJ/mol Joback Calculated Property
Δfgas -485.59 kJ/mol Joback Calculated Property
Δfus 18.64 kJ/mol Joback Calculated Property
Δvap 61.30 kJ/mol Joback Calculated Property
logPoct/wat 4.49 Crippen Calculated Property
Pc 1747.74 kPa Joback Calculated Property
Tboil 691.69 K Joback Calculated Property
Tc 916.62 K Joback Calculated Property
Tfus 410.67 K Joback Calculated Property
Vc 0.87 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 693.68 J/mol×K 691.69 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
>C=O (nonring) 1
=CH- (ring) 1
=C< (ring) 1
>C< 1
>C< (ring) 1
-CH3 5
>CH- (ring) 2
-CH2- (ring) 5

Similar Compounds

.alpha.-Eudesmol acetate. .beta.-Eudesmol, acetate. Bulnesyl acetate. 10-epi-«gamma»-eudesmol acetate. «gamma»-eudesmol acetate. «gamma»-Eudesmol acetate. Elemol acetate. 4A-Methyl-8-cholestenol acetate. Obtusifoliol acetate. 24(28)-Dihydroobtusifoliol acetate. Multiflorenol (7-multiflorenenol) acetate. Bauerenol (7-bauerenenol) acetate. Epibauerenol (7-baueren-3A-ol) acetate. Avenasterol acetate. 28-Isoavenasterol acetate.

Find more compounds similar to Valerianol acetate.

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.