Chemical Properties of 4e-methyladamantane-1e-carboxylic acid, methyl ester

4e-methyladamantane-1e-carboxylic acid, methyl ester

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

InChI
InChI=1S/C13H20O2/c1-8-10-3-9-4-11(8)7-13(5-9,6-10)12(14)15-2/h8-11H,3-7H2,1-2H3/t8?,9-,10-,11+,13-
InChI Key
GPDUTWRPOYXFNJ-JTPDLKOHSA-N
Formula
C13H20O2
SMILES
COC(=O)C12CC3CC(C1)C(C)C(C3)C2
Molecular Weight1
208.30
Sources

Physical Properties

Property Value Unit Source
Δf -26.10 kJ/mol Joback Calculated Property
Δfgas -369.65 kJ/mol Joback Calculated Property
Δfus 20.36 kJ/mol Joback Calculated Property
Δvap 51.83 kJ/mol Joback Calculated Property
logPoct/wat 2.62 Crippen Calculated Property
Pc 2436.25 kPa Joback Calculated Property
Tboil 588.52 K Joback Calculated Property
Tc 807.42 K Joback Calculated Property
Tfus 374.15 K Joback Calculated Property
Vc 0.65 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 476.26 J/mol×K 588.52 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
-CH3 2
>C< (ring) 1
>C=O (nonring) 1
>CH- (ring) 4
-CH2- (ring) 5

Similar Compounds

4a-methyladamantane-1e-carboxylic acid, methyl ester. 1-Adamantanecarboxylic acid, methyl ester. 3-ethyladamantane-1-carboxylic acid, methyl ester. 3,5-dimethyladamantane-1-carboxylic acid, methyl ester. Bicyclo[2.2.1]heptan-1-carboxylic acid, methyl ester. cis-1-carbomethoxy-1,3-dimethylcyclohexane. trans-carbomethoxy-1,3-dimethylcyclohexane. Bicyclo[2.2.2]octan-1-carboxylic acid, methyl ester. Methyl 7-isopropyl-1,4a-dimethyltetradecahydrophenanthrene-1-carboxylate. 1-Phenanthrenecarboxylic acid, tetradecahydro-1,4a-dimethyl-7-(1-methylethyl)-, methyl ester, [1R-(1«alpha»,4a«beta»,4b«alpha»,7«beta»,8a«beta»,10a«alpha»)]-. Ethyladamantane-1-carboxylate. 2-methyladamantane-1-carboxylic acid, methyl ester. Adamantane-1-carboxylic acid, propyl ester. 5,7-dimethyladamantane-1,3-dicarboxylic acid, dimethyl ester. Cyclohexanecarboxylic acid, 1-ethyl-, methyl ester.

Find more compounds similar to 4e-methyladamantane-1e-carboxylic acid, methyl 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.