Chemical Properties of Tricyclo[4.4.0.0(2,7)]decane, 1-methyl-3-methylene-8-(1-methylethyl)-, stereoisomer (CAS 20479-06-5)

Tricyclo[4.4.0.0(2,7)]decane, 1-methyl-3-methylene-8-(1-methylethyl)-, stereoisomer

InChI
InChI=1S/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(15)13(11)12/h9,11-14H,3,5-8H2,1-2,4H3
InChI Key
UPVZPMJSRSWJHQ-UHFFFAOYSA-N
Formula
C15H24
SMILES
C=C1CCC2C3C(C(C)C)CCC2(C)C13
Molecular Weight1
204.35
CAS
20479-06-5
Other Names
  • Tricyclo[4.4.0.0(2,7)]decane, 8-isopropyl-1-methyl-3-methylene-, syn-8-
  • «beta»-Ylangene
  • trans-«beta»-Copaene
  • «beta»-Yalangene
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° 18.07 kJ/mol Joback Calculated Property
logPoct/wat 4.271 Crippen Calculated Property
McVol 185.330 ml/mol McGowan Calculated Property
Inp [1372.00; 1451.00]   Show Hide
Inp 1417.50 NIST
Inp 1425.00 NIST
Inp 1421.00 NIST
Inp 1421.00 NIST
Inp 1422.00 NIST
Inp 1418.00 NIST
Inp 1424.80 NIST
Inp 1421.00 NIST
Inp 1426.00 NIST
Inp 1422.00 NIST
Inp 1421.00 NIST
Inp 1419.00 NIST
Inp 1431.00 NIST
Inp 1418.00 NIST
Inp Outlier 1372.00 NIST
Inp Outlier 1380.00 NIST
Inp 1423.00 NIST
Inp 1416.00 NIST
Inp 1423.00 NIST
Inp 1425.00 NIST
Inp 1419.00 NIST
Inp 1424.00 NIST
Inp 1420.00 NIST
Inp 1421.00 NIST
Inp 1421.00 NIST
Inp Outlier 1451.00 NIST
Inp 1421.00 NIST
Inp 1421.00 NIST
Inp 1420.00 NIST
Inp 1421.00 NIST
Inp 1405.00 NIST
Inp 1405.00 NIST
Inp 1425.00 NIST
Inp 1417.50 NIST
Inp 1426.00 NIST
Inp 1418.00 NIST
Inp 1423.00 NIST
Ip [1547.00; 1589.00]   Show Hide
Ip 1567.00 NIST
Ip 1568.00 NIST
Ip 1576.00 NIST
Ip 1574.00 NIST
Ip Outlier 1547.00 NIST
Ip 1580.00 NIST
Ip 1568.00 NIST
Ip Outlier 1553.00 NIST
Ip 1570.00 NIST
Ip 1589.00 NIST
Ip 1586.00 NIST
Ip 1576.00 NIST
Ip 1589.00 NIST
Ip 1589.00 NIST
Ip 1589.00 NIST
Ip 1589.00 NIST
Ip 1589.00 NIST
Ip 1589.00 NIST
Ip 1589.00 NIST
Ip 1589.00 NIST
Ip 1573.00 NIST
Ip 1589.00 NIST
Ip 1589.00 NIST
Ip 1572.00 NIST
Ip 1589.00 NIST
Ip 1589.00 NIST
Ip 1589.00 NIST
Ip 1589.00 NIST
Ip 1580.00 NIST
Ip 1586.00 NIST
Ip 1567.00 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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [245.26; 723.46] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A-1.84100e+02
Coefficient B1.99926e+00
Coefficient C-1.73900e-03
Coefficient D6.47300e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 245.26 J/mol×K 273.00 Calculated Property
Cp,gas 334.20 J/mol×K 353.78 Calculated Property
Cp,gas 409.42 J/mol×K 434.56 Calculated Property
Cp,gas 472.95 J/mol×K 515.33 Calculated Property
Cp,gas 526.85 J/mol×K 596.11 Calculated Property
Cp,gas 573.16 J/mol×K 676.89 Calculated Property
Cp,gas 613.92 J/mol×K 757.67 Calculated Property
Cp,gas 651.20 J/mol×K 838.44 Calculated Property
Cp,gas 687.03 J/mol×K 919.22 Calculated Property
Cp,gas 723.46 J/mol×K 1000.00 Calculated Property

Similar Compounds

«beta»-Copaene. «beta»-copaene. «beta»-Longipinene. .beta.-Longipinene. Dihydroisocaryophyllene. «beta»-Pinene. Bicyclo[3.1.1]heptane, 6,6-dimethyl-2-methylene-, (1S)-. (E)-«beta»-Bourbonene. 1,2,3a,3b'a,4,5,6,6aa',6ba'-Decahydro-1a'-isopropyl-3aa'-methyl-6-methylenecyclobuta[1,2:3,4]dicyclopentene. (-)-«beta»-Bourbonene. 1,5-di-epi-«beta»-Bourbonene. Bourbonene. (+)(-)-(E)-«beta»-caryophyllene. 10,10-Dimethyl-2,6-dimethylenebicyclo[7.2.0]undecane. «beta»-Copaene.

Find more compounds similar to Tricyclo[4.4.0.0(2,7)]decane, 1-methyl-3-methylene-8-(1-methylethyl)-, stereoisomer.

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.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.