Chemical Properties of iso-3-Thujyl acetate (CAS 62181-90-2)

iso-3-Thujyl acetate

InChI
InChI=1S/C12H20O2/c1-7(2)12-5-10(12)8(3)11(6-12)14-9(4)13/h7-8,10-11H,5-6H2,1-4H3/t8-,10+,11+,12-/m0/s1
InChI Key
RYMWIDNPMDLHRP-GMNPVEAJSA-N
Formula
C12H20O2
SMILES
CC(=O)OC1CC2(C(C)C)CC2C1C
Molecular Weight1
196.29
CAS
62181-90-2
Other Names
  • Isothujyl acetate
  • Neo-3-Thujyl alcohol, acetate
  • Iso-3-Thujyl alcohol, acetate
  • isothujyl-3-acetate
  • Thujyl acetate(3-iso)
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
ΔfusH° 18.21 kJ/mol Joback Calculated Property
logPoct/wat 2.620 Crippen Calculated Property
McVol 165.660 ml/mol McGowan Calculated Property
Inp [1261.00; 1305.00]   Show Hide
Inp 1266.50 NIST
Inp 1301.00 NIST
Inp 1297.00 NIST
Inp 1266.50 NIST
Inp 1294.00 NIST
Inp 1273.00 NIST
Inp 1298.00 NIST
Inp 1305.00 NIST
Inp 1270.00 NIST
Inp 1301.00 NIST
Inp 1279.00 NIST
Inp 1291.00 NIST
Inp 1291.00 NIST
Inp 1291.00 NIST
Inp 1261.00 NIST
Inp 1270.00 NIST
Inp 1291.00 NIST
Inp 1294.00 NIST
Inp 1301.00 NIST
I 1630.00 NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [438.10; 534.06] J/mol×K [554.19; 758.84] Show Hide
Cp,gas 438.10 J/mol×K 554.19 Joback Calculated Property
Cp,gas 456.42 J/mol×K 588.30 Joback Calculated Property
Cp,gas 473.65 J/mol×K 622.41 Joback Calculated Property
Cp,gas 489.90 J/mol×K 656.52 Joback Calculated Property
Cp,gas 505.31 J/mol×K 690.62 Joback Calculated Property
Cp,gas 519.99 J/mol×K 724.73 Joback Calculated Property
Cp,gas 534.06 J/mol×K 758.84 Joback Calculated Property

Similar Compounds

(1R,3S,4S,5S)-1-Isopropyl-4-methylbicyclo[3.1.0]hexan-3-yl acetate-rel-. neo-iso-3-Thujyl acetate. Thujyl acetate. neo-3-thujyl acetate. (1R,3R,4S,5S)-1-Isopropyl-4-methylbicyclo[3.1.0]hexan-3-yl acetate-rel. neo-iso-3-Thujyl acetate. 3-Isothujyl acetate. 24(28)-Dihydrocycloeucalenol acetate. 9,19-Cyclolanostan-3-ol, acetate, (3.beta.)-. 31-Norcycloartanol acetate. 24-Methyl-31-nor-23-dehydrocycloartanol acetate. 24-Methylcycloartanol acetate. 5«alpha»-Cholestan-3«alpha»-ol, 4«alpha»-methyl-, acetate. exo-Pinocampheol, acetate. endo-Pinocampheol, acetate.

Find more compounds similar to iso-3-Thujyl acetate.

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.