Chemical Properties of Adamantan-1-carboxylic acid, methyl ester (CAS 711-01-3)

Adamantan-1-carboxylic acid, methyl ester

PDF Excel Molecule Calculator
InChI
InChI=1S/C12H18O2/c1-14-11(13)12-5-8-2-9(6-12)4-10(3-8)7-12/h8-10H,2-7H2,1H3
InChI Key
CLYOOVNORYNXMD-UHFFFAOYSA-N
Formula
C12H18O2
SMILES
COC(=O)C12CC3CC(CC(C3)C1)C2
Molecular Weight1
194.27
CAS
711-01-3
Other Names
  • Adamantane-1-carboxylic acid, methyl ester
  • 1-Adamantanecarboxylic acid, methyl ester
  • Tricyclo[3.3.1.1
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
PAff 864.10 kJ/mol NIST
BasG 833.10 kJ/mol NIST
Δcsolid -6716.80 ± 2.10 kJ/mol NIST
Δf -26.81 kJ/mol Joback Calculated Property
Δfgas -495.40 ± 2.70 kJ/mol NIST
Δfsolid -577.80 ± 2.60 kJ/mol NIST
Δfus 16.70 kJ/mol Joback Calculated Property
Δsub [82.40; 82.40] kJ/mol Show Hide
Δsub 82.40 ± 0.60 kJ/mol NIST
Δsub 82.40 kJ/mol NIST
Δsub 82.40 ± 0.60 kJ/mol NIST
Δvap 49.91 kJ/mol Joback Calculated Property
IE 9.38 ± 0.03 eV NIST
log10WS -2.43 Crippen Calculated Property
logPoct/wat 2.376 Crippen Calculated Property
McVol 154.800 ml/mol McGowan Calculated Property
Pc 2778.85 kPa Joback Calculated Property
Inp [1431.00; 1489.00]   Show Hide
Inp 1489.00 NIST
Inp 1431.00 NIST
Inp 1449.00 NIST
Inp 1465.00 NIST
Inp 1474.00 NIST
Inp 1486.00 NIST
Inp 1489.00 NIST
Inp 1486.00 NIST
I [1858.00; 1937.00]   Show Hide
I 1858.00 NIST
I 1892.00 NIST
I 1914.00 NIST
I 1937.00 NIST
I 1858.00 NIST
Tboil 570.31 K Joback Calculated Property
Tc 793.24 K Joback Calculated Property
Tfus 367.12 K Joback Calculated Property
Vc 0.592 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [424.27; 523.27] J/mol×K [570.31; 793.24] Show Hide
Cp,gas 424.27 J/mol×K 570.31 Joback Calculated Property
Cp,gas 443.51 J/mol×K 607.47 Joback Calculated Property
Cp,gas 461.41 J/mol×K 644.62 Joback Calculated Property
Cp,gas 478.15 J/mol×K 681.78 Joback Calculated Property
Cp,gas 493.91 J/mol×K 718.93 Joback Calculated Property
Cp,gas 508.89 J/mol×K 756.09 Joback Calculated Property
Cp,gas 523.27 J/mol×K 793.24 Joback Calculated Property
Cp,solid 264.20 J/mol×K 298.15 NIST
ΔsubH 84.30 ± 0.60 kJ/mol 275.00 NIST

Similar Compounds

3-ethyladamantane-1-carboxylic acid, methyl ester. 3,5-dimethyladamantane-1-carboxylic acid, methyl ester. Bicyclo[2.2.2]octan-1-carboxylic acid, methyl ester. 4e-methyladamantane-1e-carboxylic acid, methyl ester. 4a-methyladamantane-1e-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. Ethyladamantane-1-carboxylate. trans-carbomethoxy-1,4-dimethylcyclohexane. cis-1-carbomethoxy-1,4-dimethylcyclohexane. Cyclohexanecarboxylic acid, 1-propyl-, methyl ester. Cyclohexanecarboxylic acid, 1-ethyl-, methyl ester. Cyclohexanecarboxylic acid, 1-butyl-, methyl ester. Cyclohexane-1-carboxylic acid, 1-methyl, methyl ester.

Find more compounds similar to Adamantan-1-carboxylic acid, methyl ester.

Sources

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.