Chemical Properties of 1,3,7-Octatriene, 3,7-dimethyl- (CAS 502-99-8)

1,3,7-Octatriene, 3,7-dimethyl-

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InChI
InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,8H,1-2,6-7H2,3-4H3/b10-8+
InChI Key
XJPBRODHZKDRCB-CSKARUKUSA-N
Formula
C10H16
SMILES
C=CC(C)=CCCC(=C)C
Molecular Weight1
136.23
CAS
502-99-8
Other Names
  • (3E)-3,7-Dimethyl-1,3,7-octatriene
  • 1,3,7-Octatrienene,3,7-dimethyl-
  • 2,6-Dimethyl-1,5,7-octatriene
  • 3,7-Dimethyl-1,3,7-octatriene
  • 3,7-Dimethylocta-1,3,7-triene
  • Ocimene
  • alpha-Ocimene
  • «alpha»-Ocimene
  • «alpha»-Ocimene
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Physical Properties

Property Value Unit Source
Δf 272.12 kJ/mol Joback Calculated Property
Δfgas 98.77 kJ/mol Joback Calculated Property
Δfus 16.68 kJ/mol Joback Calculated Property
Δvap 36.63 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 2421.88 kPa Joback Calculated Property
Inp [1018.00; 1057.00]   Show Hide
Inp 1050.00 NIST
Inp 1050.00 NIST
Inp 1052.00 NIST
Inp 1038.00 NIST
Inp 1050.00 NIST
Inp 1052.00 NIST
Inp 1057.00 NIST
Inp 1049.00 NIST
Inp 1050.00 NIST
Inp 1042.00 NIST
Inp 1038.00 NIST
Inp 1039.00 NIST
Inp 1039.00 NIST
Inp 1041.00 NIST
Inp 1041.00 NIST
Inp 1041.00 NIST
Inp 1052.00 NIST
Inp 1052.00 NIST
Inp 1040.00 NIST
Inp 1047.00 NIST
Inp Outlier 1018.00 NIST
Inp 1032.00 NIST
Inp 1052.00 NIST
Inp 1046.00 NIST
Inp 1046.00 NIST
Inp 1039.00 NIST
Inp 1039.00 NIST
Inp 1043.00 NIST
Inp 1039.00 NIST
Inp 1039.50 NIST
Inp 1051.00 NIST
Inp 1050.00 NIST
Inp 1038.00 NIST
Inp 1040.00 NIST
Inp 1038.00 NIST
Inp 1040.00 NIST
Inp 1040.00 NIST
Inp 1051.00 NIST
Inp 1055.00 NIST
Inp 1049.00 NIST
Inp 1044.00 NIST
Inp 1029.00 NIST
Inp 1050.00 NIST
Inp 1041.00 NIST
Inp 1043.00 NIST
Inp Outlier 1026.00 NIST
Inp 1051.00 NIST
Inp 1031.00 NIST
Inp 1041.00 NIST
Inp 1050.00 NIST
Inp 1056.00 NIST
Inp 1043.00 NIST
Inp 1042.00 NIST
Inp 1038.00 NIST
Inp 1033.00 NIST
Inp 1037.00 NIST
Inp 1044.00 NIST
Inp 1040.00 NIST
Inp 1046.00 NIST
Inp 1039.00 NIST
Inp 1055.00 NIST
Inp 1050.00 NIST
Inp 1052.00 NIST
I [1232.00; 1259.00]   Show Hide
I 1232.00 NIST
I 1237.00 NIST
I 1239.00 NIST
I 1250.00 NIST
I 1245.00 NIST
I 1254.00 NIST
I 1259.00 NIST
I 1232.00 NIST
I 1250.00 NIST
Tboil 425.48 K Joback Calculated Property
Tc 609.58 K Joback Calculated Property
Tfus 165.94 K Joback Calculated Property
Vc 0.539 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [267.94; 344.07] J/mol×K [425.48; 609.58] Show Hide
Cp,gas 267.94 J/mol×K 425.48 Joback Calculated Property
Cp,gas 282.35 J/mol×K 456.16 Joback Calculated Property
Cp,gas 296.03 J/mol×K 486.85 Joback Calculated Property
Cp,gas 309.00 J/mol×K 517.53 Joback Calculated Property
Cp,gas 321.31 J/mol×K 548.21 Joback Calculated Property
Cp,gas 332.99 J/mol×K 578.90 Joback Calculated Property
Cp,gas 344.07 J/mol×K 609.58 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

Alpha cis ocimene. 1,3,6,10-Dodecatetraene, 3,7,11-trimethyl-, (Z,E)-. «alpha»-Farnesene isomer. (Z,Z)-«alpha»-Farnesene. «alpha»-Farnesene. (E,E,E)-3,7,11,15-Tetramethylhexadeca-1,3,6,10,14-pentaene. (E)-4,8-Dimethylnona-1,3,7-triene. (Z)-4,8-dimethyl-1,3,7-nonatriene. 4,8-Dimethyl-1,3,7-nonatriene. (E)-4,8-Dimethyl-1,3,7-nonatriene. Lycopene. (E,E)-4,8,12-trimethyl-1,3,7,11-tridecatetraene. (3E,7E)-4,8,12-Trimethyltrideca-1,3,7,11-tetraene. (E)2,(Z)4,(E)6-ALLOFARNESENE. «gamma»-Farnesene.

Find more compounds similar to 1,3,7-Octatriene, 3,7-dimethyl-.

Sources

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.