Chemical Properties of «beta»-Ocimene (CAS 13877-91-3)

«beta»-Ocimene

Download as PDF file Download as Excel file Download as 2D mole file Predict properties

InChI
InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,7-8H,1,6H2,2-4H3
InChI Key
IHPKGUQCSIINRJ-UHFFFAOYSA-N
Formula
C10H16
SMILES
C=CC(C)=CCC=C(C)C
Molecular Weight1
136.23
CAS
13877-91-3
Other Names
  • 1,3,6-Octatriene, 3,7-dimethyl-
  • 3,7-Dimethyl-1,3,6-octatriene
  • 3,7-dimethylocta-1,3,6-triene
  • Ocimene
  • beta-Ocimene
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
Δf 264.50 kJ/mol Joback Calculated Property
Δfgas 90.56 kJ/mol Joback Calculated Property
Δfus 18.16 kJ/mol Joback Calculated Property
Δvap 37.26 kJ/mol Joback Calculated Property
log10WS -3.57 Crippen Calculated Property
logPoct/wat 3.475 Crippen Calculated Property
McVol 138.860 ml/mol McGowan Calculated Property
Pc 2445.89 kPa Joback Calculated Property
Inp [1023.00; 1058.00]   Show Hide
Inp 1043.00 NIST
Inp 1050.00 NIST
Inp 1023.00 NIST
Inp 1026.00 NIST
Inp 1038.00 NIST
Inp Outlier 1058.00 NIST
Inp 1027.60 NIST
Inp 1050.00 NIST
Inp 1041.00 NIST
Inp 1032.00 NIST
Inp 1029.00 NIST
Inp 1024.00 NIST
Inp 1031.00 NIST
Inp 1044.00 NIST
Inp 1031.00 NIST
Inp 1037.00 NIST
Inp 1037.00 NIST
Inp 1035.00 NIST
Inp 1037.00 NIST
Inp 1037.00 NIST
Inp 1032.00 NIST
Inp 1044.00 NIST
Inp 1032.00 NIST
Inp 1038.00 NIST
Inp 1040.00 NIST
Inp 1035.00 NIST
Inp 1039.00 NIST
Inp 1046.00 NIST
Inp 1044.00 NIST
Inp 1040.00 NIST
Inp 1031.00 NIST
Inp 1048.00 NIST
Inp 1037.00 NIST
Inp 1027.00 NIST
Inp 1038.00 NIST
Inp 1037.00 NIST
Inp 1044.00 NIST
Inp 1039.00 NIST
Inp 1043.00 NIST
I [1229.00; 1276.00]   Show Hide
I 1250.00 NIST
I 1252.00 NIST
I 1235.00 NIST
I 1233.00 NIST
I Outlier 1276.00 NIST
I 1247.00 NIST
I 1251.00 NIST
I 1230.00 NIST
I 1239.00 NIST
I 1254.00 NIST
I 1229.00 NIST
I 1246.00 NIST
I 1250.00 NIST
I 1247.00 NIST
I 1255.00 NIST
I 1259.00 NIST
I 1250.00 NIST
I 1259.00 NIST
I 1254.00 NIST
I 1235.00 NIST
I 1230.00 NIST
Tboil 432.96 K Joback Calculated Property
Tc 622.27 K Joback Calculated Property
Tfus 162.62 K Joback Calculated Property
Vc 0.538 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [268.68; 345.84] J/mol×K [432.96; 622.27] Show Hide
Cp,gas 268.68 J/mol×K 432.96 Joback Calculated Property
Cp,gas 283.41 J/mol×K 464.51 Joback Calculated Property
Cp,gas 297.33 J/mol×K 496.06 Joback Calculated Property
Cp,gas 310.50 J/mol×K 527.62 Joback Calculated Property
Cp,gas 322.94 J/mol×K 559.17 Joback Calculated Property
Cp,gas 334.71 J/mol×K 590.72 Joback Calculated Property
Cp,gas 345.84 J/mol×K 622.27 Joback Calculated Property

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.64] kPa [347.48; 478.73] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.59500e+01
Coefficient B-4.35313e+03
Coefficient C-6.95440e+01
Temperature range, min.347.48
Temperature range, max.478.73
Pvap 1.33 kPa 347.48 Calculated Property
Pvap 2.91 kPa 362.06 Calculated Property
Pvap 5.90 kPa 376.65 Calculated Property
Pvap 11.22 kPa 391.23 Calculated Property
Pvap 20.18 kPa 405.81 Calculated Property
Pvap 34.56 kPa 420.40 Calculated Property
Pvap 56.70 kPa 434.98 Calculated Property
Pvap 89.56 kPa 449.56 Calculated Property
Pvap 136.77 kPa 464.15 Calculated Property
Pvap 202.64 kPa 478.73 Calculated Property

Similar Compounds

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

Find more compounds similar to «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.

Login Register