Chemical Properties of phyta-trans-2,cis-4-diene

phyta-trans-2,cis-4-diene

InChI
InChI=1S/C20H38/c1-7-18(4)12-9-14-20(6)16-10-15-19(5)13-8-11-17(2)3/h7,9,12,17,19-20H,8,10-11,13-16H2,1-6H3/b12-9+,18-7+
InChI Key
VQQYVFHLBANXKS-SESNXTKRSA-N
Formula
C20H38
SMILES
CC=C(C)C=CCC(C)CCCC(C)CCCC(C)C
Molecular Weight1
278.52
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° 36.08 kJ/mol Joback Calculated Property
logPoct/wat 7.168 Crippen Calculated Property
McVol 284.060 ml/mol McGowan Calculated Property
Pc 1107.42 kPa Joback Calculated Property
Ip 1945.00 NIST
Tboil 572.34 K Relay (1.0) Calculated Property
Tfus 241.71 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, 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 [400.96; 991.33] 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-4.83930e+01
Coefficient B1.96152e+00
Coefficient C-1.24370e-03
Coefficient D3.21900e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 400.96 J/mol×K 273.00 Calculated Property
Cp,gas 504.14 J/mol×K 353.78 Calculated Property
Cp,gas 595.55 J/mol×K 434.56 Calculated Property
Cp,gas 676.21 J/mol×K 515.33 Calculated Property
Cp,gas 747.13 J/mol×K 596.11 Calculated Property
Cp,gas 809.33 J/mol×K 676.89 Calculated Property
Cp,gas 863.84 J/mol×K 757.67 Calculated Property
Cp,gas 911.66 J/mol×K 838.44 Calculated Property
Cp,gas 953.82 J/mol×K 919.22 Calculated Property
Cp,gas 991.33 J/mol×K 1000.00 Calculated Property

Similar Compounds

Caparratriene. phytadiene. (Z)-2,6,10-Trimethylhexadeca-1,3-diene. (E)-2,6,10-Trimethylhexadeca-1,3-diene. «alpha»-curcumene dihydro(+). Dihydro-«alpha»-curcumene. 1,3-Cyclohexadiene, 5-(1,5-dimethyl-4-hexenyl)-2-methyl-, [S-(R*,S*)]-. «delta»-Curcumene. «alpha»-Sesquiphellandrene. Isophytadiene. 2,6-Dimethyl 4,6-octadiene (trans). Isogermacrene D. Cembrene C. 1,3,6,10-Cyclotetradecatetraene, 3,7,11-trimethyl-14-(1-methylethyl)-, [S-(E,Z,E,E)]-. 3(Z)-Cembrene A.

Find more compounds similar to phyta-trans-2,cis-4-diene.

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.
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.