Chemical Properties of trans-«beta»-Ocimene (CAS 3779-61-1)

trans-«beta»-Ocimene

InChI
InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,7-8H,1,6H2,2-4H3/b10-8+
InChI Key
IHPKGUQCSIINRJ-CSKARUKUSA-N
Formula
C10H16
SMILES
C=CC(C)=CCC=C(C)C
Molecular Weight1
136.23
CAS
3779-61-1
Other Names
  • 1,3,6-Octatriene, 3,7-dimethyl-, (E)-
  • «beta»-trans-Ocimene
  • trans-3,7-Dimethyl-1,3,6-Octatriene
  • Ocimene, trans-«beta»-
  • (E)-Ocimene
  • trans-Ocimene
  • (3E)-3,7-Dimethyl-1,3,6-octatriene
  • «beta»-(E)-Ocimene
  • «beta»-Ocimene, (E)-
  • (E)- «beta»-Ocimene
  • (E)-3,7-Dimethyl-1,3,6-octatriene
  • Ocimene, trans
  • t-«beta»-Ocimene
  • Ocimene trans-beta-form
  • (E)-3,7-Dimethylocta-1,3,6-triene
  • t-Ocimene
  • «beta»-Ocymene, (E)-
  • ocimene-x
  • (E)- «beta»-Ocimene (trans-ocimene)
  • (E)-«beta»-3,7-dimethyl-1,3,6-octatriene ((E)-«beta»-ocimene)
  • (E)- «beta»-Ocymene
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Physical Properties

Property Value Unit Source
ΔfusH° 18.16 kJ/mol Joback Calculated Property
ΔvapH° 51.06 kJ/mol Relay (1.0) Calculated Property
IE 8.15 eV Relay (1.0) Calculated Property
logPoct/wat 3.475 Crippen Calculated Property
McVol 138.860 ml/mol McGowan Calculated Property
Inp [1003.00; 1092.00]   Show Hide
Inp Outlier 1027.00 NIST
Inp 1048.00 NIST
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Inp 1050.00 NIST
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Inp 1057.00 NIST
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Inp 1036.00 NIST
Inp Outlier 1027.00 NIST
Inp 1046.00 NIST
Inp 1051.00 NIST
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Inp 1048.00 NIST
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Inp 1050.00 NIST
Inp 1036.00 NIST
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Inp 1043.00 NIST
Inp 1038.00 NIST
Inp 1036.00 NIST
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Inp 1043.00 NIST
Inp 1036.00 NIST
Inp 1040.00 NIST
Inp 1045.00 NIST
Inp 1049.00 NIST
Inp Outlier 1026.70 NIST
Inp Outlier 1027.10 NIST
Inp 1048.00 NIST
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Inp 1044.00 NIST
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Inp 1042.00 NIST
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Inp 1046.90 NIST
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Inp 1051.00 NIST
Inp 1055.00 NIST
Inp 1041.00 NIST
Inp 1047.00 NIST
Inp 1041.00 NIST
Inp 1047.00 NIST
Inp Outlier 1061.00 NIST
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Inp 1051.00 NIST
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Inp 1042.00 NIST
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Inp 1041.00 NIST
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Inp 1043.00 NIST
Inp 1050.00 NIST
Inp Outlier 1027.00 NIST
Inp 1034.00 NIST
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Inp 1042.00 NIST
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Inp 1042.00 NIST
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Inp 1032.90 NIST
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Inp 1047.00 NIST
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Inp 1035.00 NIST
Inp Outlier 1027.00 NIST
Inp 1044.00 NIST
Inp 1060.00 NIST
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Inp 1029.00 NIST
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Inp Outlier 1067.00 NIST
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Inp 1048.00 NIST
Inp Outlier 1025.00 NIST
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Inp 1049.00 NIST
Inp 1051.00 NIST
Inp Outlier 1026.00 NIST
Inp 1036.00 NIST
Inp 1034.00 NIST
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Inp 1051.00 NIST
Inp 1041.00 NIST
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Inp 1049.00 NIST
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Inp 1050.00 NIST
Inp 1051.00 NIST
Inp 1048.00 NIST
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Inp 1048.00 NIST
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Inp 1051.00 NIST
Inp 1051.00 NIST
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Inp 1033.00 NIST
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Inp 1037.00 NIST
Inp 1037.00 NIST
Inp Outlier 1023.00 NIST
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Inp 1053.00 NIST
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Inp 1048.00 NIST
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Inp 1051.00 NIST
Inp 1029.00 NIST
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Inp Outlier 1062.00 NIST
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Inp 1045.60 NIST
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Inp 1034.00 NIST
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Inp Outlier 1026.00 NIST
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Inp 1059.00 NIST
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Inp 1028.00 NIST
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Inp 1036.00 NIST
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Inp 1050.00 NIST
Inp Outlier 1016.00 NIST
Inp Outlier 1061.00 NIST
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Inp 1050.00 NIST
Inp Outlier 1069.00 NIST
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Inp 1051.00 NIST
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Inp 1036.00 NIST
Inp 1049.00 NIST
Inp 1058.00 NIST
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Inp 1040.00 NIST
Inp 1031.00 NIST
Inp Outlier 1003.00 NIST
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Inp 1054.00 NIST
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Inp 1033.00 NIST
Inp 1051.00 NIST
Inp 1041.00 NIST
Inp 1056.00 NIST
Inp 1040.00 NIST
Inp 1039.00 NIST
Inp 1047.00 NIST
Inp 1057.00 NIST
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Inp 1046.00 NIST
Inp 1053.00 NIST
Inp Outlier 1015.00 NIST
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Inp 1046.00 NIST
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Inp 1048.00 NIST
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Inp 1050.00 NIST
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Inp 1036.00 NIST
Inp 1034.00 NIST
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Inp 1048.00 NIST
Inp 1041.00 NIST
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Inp 1038.00 NIST
Inp 1048.00 NIST
Inp 1052.00 NIST
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Inp 1047.00 NIST
Inp 1045.00 NIST
Inp 1050.00 NIST
Inp 1048.00 NIST
Inp 1051.00 NIST
Inp 1050.00 NIST
Inp 1050.00 NIST
Inp Outlier 1017.00 NIST
Inp 1052.00 NIST
Inp 1049.00 NIST
Inp 1050.00 NIST
Inp 1051.00 NIST
Inp 1049.00 NIST
Inp 1049.00 NIST
Inp 1053.00 NIST
Inp 1050.00 NIST
Inp 1042.00 NIST
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Inp 1044.00 NIST
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Inp 1042.00 NIST
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Inp 1048.00 NIST
Inp Outlier 1017.00 NIST
Inp Outlier 1019.00 NIST
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Inp Outlier 1061.00 NIST
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Inp Outlier 1025.00 NIST
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Inp Outlier 1017.00 NIST
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Inp Outlier 1027.00 NIST
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Inp Outlier 1026.00 NIST
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Inp 1039.00 NIST
Inp 1044.00 NIST
Inp Outlier 1027.00 NIST
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Inp Outlier 1092.00 NIST
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Inp Outlier 1025.00 NIST
Inp 1047.00 NIST
Inp 1048.00 NIST
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Inp Outlier 1027.00 NIST
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Ip [1200.00; 1290.00]   Show Hide
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Tboil 442.58 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, 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 [180.11; 445.02] 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-3.69390e+01
Coefficient B9.73660e-01
Coefficient C-7.15300e-04
Coefficient D2.23600e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 180.11 J/mol×K 273.00 Calculated Property
Cp,gas 227.89 J/mol×K 353.78 Calculated Property
Cp,gas 269.44 J/mol×K 434.56 Calculated Property
Cp,gas 305.46 J/mol×K 515.33 Calculated Property
Cp,gas 336.65 J/mol×K 596.11 Calculated Property
Cp,gas 363.73 J/mol×K 676.89 Calculated Property
Cp,gas 387.40 J/mol×K 757.67 Calculated Property
Cp,gas 408.37 J/mol×K 838.44 Calculated Property
Cp,gas 427.34 J/mol×K 919.22 Calculated Property
Cp,gas 445.02 J/mol×K 1000.00 Calculated Property

Similar Compounds

«beta»-Ocimene. 1,3,6-Octatriene, 3,7-dimethyl-, (Z)-. 1,3,5-Cycloheptatriene, methyl. 2,4-Heptadiene, 2,4-dimethyl-. ( Z, Z)-farnesene. 2-Methyl-1,3-cyclopentadiene. 1,4-Hexadiene, 5-methyl-. (Z)-2,6-Dimethylocta-2,5,7-trien-4-one. (E)-2,6-Dimethylocta-2,5,7-trien-4-one. Ocimenone. 1,3-Pentadiene, 3-methyl-. 1,3-Pentadiene, 3-methyl-, (Z)-. 2,6-Dimethyl-2,5-heptadiene. (Z)-«beta»-Ocimenol. trans-Ocimenol.

Find more compounds similar to trans-«beta»-Ocimene.

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.
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