Chemical Properties of Adamantane-1-carboxylic acid, sec.-butyl ester (CAS 24556-19-2)

Adamantane-1-carboxylic acid, sec.-butyl ester

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

InChI
InChI=1S/C15H24O2/c1-3-10(2)17-14(16)15-7-11-4-12(8-15)6-13(5-11)9-15/h10-13H,3-9H2,1-2H3
InChI Key
OTFHZSAGXXABSX-UHFFFAOYSA-N
Formula
C15H24O2
SMILES
CCC(C)OC(=O)C12CC3CC(CC(C3)C1)C2
Molecular Weight1
236.35
CAS
24556-19-2
Other Names
  • Adamantane-1-carboxylic acid, sec.-butyl ester
Sources

Physical Properties

Property Value Unit Source
Δf -3.99 kJ/mol Joback Calculated Property
Δfgas -395.87 kJ/mol Joback Calculated Property
Δfus 20.95 kJ/mol Joback Calculated Property
Δvap 56.20 kJ/mol Joback Calculated Property
logPoct/wat 3.54 Crippen Calculated Property
Pc 2110.00 kPa Joback Calculated Property
Tboil 638.51 K Joback Calculated Property
Tc 854.28 K Joback Calculated Property
Tfus 385.93 K Joback Calculated Property
Vc 0.75 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 581.22 J/mol×K 638.51 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-O- (nonring) 1
>C=O (nonring) 1
-CH2- 1
>C< (ring) 1
-CH3 2
>CH- (ring) 3
-CH2- (ring) 6

Similar Compounds

Adamantane-1-carboxylic acid, isopropyl ester. Adamantane-1-carboxylic acid, tert.-butyl ester. Adamantane-1-carboxylic acid, isobutyl ester. Adamantane-1-carboxylic acid, propyl ester. Adamantane-1-carboxylic acid, butyl ester. Ethyladamantane-1-carboxylate. Adamantane, 3,7-dimethyl-, 1,5-dicarboxylic acid, dipentyl ester. 1-Adamantanecarboxylic acid, methyl ester. 3,5-dimethyladamantane-1-carboxylic acid, methyl ester. 3-ethyladamantane-1-carboxylic acid, methyl ester. trans-carbomethoxy-1,3-dimethylcyclohexane. cis-1-carbomethoxy-1,3-dimethylcyclohexane. 4a-methyladamantane-1e-carboxylic acid, methyl ester. 4e-methyladamantane-1e-carboxylic acid, methyl ester. 3-Cyclopentylpropionic acid, 1-adamantylmethyl ester.

Find more compounds similar to Adamantane-1-carboxylic acid, sec.-butyl ester.

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.