Chemical Properties of 1-Adamantaneacetic acid (CAS 4942-47-6)

1-Adamantaneacetic acid

InChI
InChI=1S/C12H18O2/c13-11(14)7-12-4-8-1-9(5-12)3-10(2-8)6-12/h8-10H,1-7H2,(H,13,14)
InChI Key
AOTQGWFNFTVXNQ-UHFFFAOYSA-N
Formula
C12H18O2
SMILES
O=C(O)CC12CC3CC(CC(C3)C1)C2
Molecular Weight1
194.27
CAS
4942-47-6
Other Names
  • Tricyclo[3.3.1.1(3,7)-]decane-1-acetic acid
  • 1-Adamantylacetic acid
  • tricyclo[3.3.1.13,7]dec-1-ylacetic acid
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
ω 0.6567 Relay (1.0) Calculated Property
ΔfG° -58.63 kJ/mol Joback Calculated Property
ΔfH°gas -567.19 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 19.60 kJ/mol Joback Calculated Property
ΔvapH° 91.72 kJ/mol Relay (1.0) Calculated Property
IE 9.22 eV Relay (1.0) Calculated Property
log10WS -3.81 Relay (1.0) Calculated Property
logPoct/wat 2.678 Crippen Calculated Property
McVol 154.800 ml/mol McGowan Calculated Property
Pc 3127.99 kPa Joback Calculated Property
Tboil 568.95 K Relay (1.0) Calculated Property
Tc 828.71 K Relay (1.0) Calculated Property
Tfus 515.24 K Relay (1.0) Calculated Property
Vc 0.547 m3/kmol Relay (1.0) Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [460.29; 544.02] J/mol×K [640.07; 848.95] Show Hide
Cp,gas 460.29 J/mol×K 640.07 Joback Calculated Property
Cp,gas 475.95 J/mol×K 674.88 Joback Calculated Property
Cp,gas 490.70 J/mol×K 709.70 Joback Calculated Property
Cp,gas 504.72 J/mol×K 744.51 Joback Calculated Property
Cp,gas 518.16 J/mol×K 779.32 Joback Calculated Property
Cp,gas 531.21 J/mol×K 814.14 Joback Calculated Property
Cp,gas 544.02 J/mol×K 848.95 Joback Calculated Property

Similar Compounds

1,1-Cyclohexane diacetic acid. 3,3-Tetramethyleneglutaric acid. 3,3-Dimethylheptanoic acid. Cyclohexaneacetic acid. Hexanoic acid, 3,5,5-trimethyl-. 2-Norbornaneacetic acid. 3-Ethylheptanoic acid. Cyclopentaneacetic acid. 3,7-Dimethyl-octanoic acid. Decanoic acid, 3-methyl-. 1-Adamantaneethanol. Spiro[5.5]undecane-3-carboxylic acid. Bicyclo[2.2.2]octane-1-carboxylic acid. Adamantane-1-carboxylic acid. 3-Methyl hexanoic acid.

Find more compounds similar to 1-Adamantaneacetic acid.

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.