Chemical Properties of allo- neo-Ocimene (CAS 3016-19-1)

allo- neo-Ocimene

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InChI
InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5-8H,1-4H3/b8-6+,10-5+
InChI Key
GQVMHMFBVWSSPF-SOYUKNQTSA-N
Formula
C10H16
SMILES
CC=C(C)C=CC=C(C)C
Molecular Weight1
136.23
CAS
3016-19-1
Other Names
  • (E,E)-alloocimene
  • 2,6-Dimethyl-octa-2,4,6-triene, trans
  • trans,trans-Alloocimene
  • Alloocimene, trans
  • 4-trans-6-trans-alloocimene
  • (E,E)-2,6-dimethylocta-2,4,6-triene
  • 2,4,6-Octatriene, 2,6-dimethyl-, (E,E)-
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Physical Properties

Property Value Unit Source
Δf 256.88 kJ/mol Joback Calculated Property
Δfgas 82.35 kJ/mol Joback Calculated Property
Δfus 19.64 kJ/mol Joback Calculated Property
Δvap 37.89 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 2470.27 kPa Joback Calculated Property
Inp [1121.00; 1146.00]   Show Hide
Inp 1121.00 NIST
Inp 1146.00 NIST
Inp 1129.00 NIST
Inp 1121.00 NIST
Inp 1143.50 NIST
Inp 1140.00 NIST
Inp 1122.00 NIST
Inp 1123.00 NIST
Inp 1144.00 NIST
Inp 1140.00 NIST
Inp 1143.50 NIST
Inp 1121.00 NIST
I [1366.00; 1393.00]   Show Hide
I 1391.00 NIST
I 1393.00 NIST
I 1366.00 NIST
I 1393.00 NIST
Tboil 440.44 K Joback Calculated Property
Tc 635.07 K Joback Calculated Property
Tfus 159.30 K Joback Calculated Property
Vc 0.537 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [269.43; 347.53] J/mol×K [440.44; 635.07] Show Hide
Cp,gas 269.43 J/mol×K 440.44 Joback Calculated Property
Cp,gas 284.46 J/mol×K 472.88 Joback Calculated Property
Cp,gas 298.62 J/mol×K 505.32 Joback Calculated Property
Cp,gas 311.96 J/mol×K 537.75 Joback Calculated Property
Cp,gas 324.52 J/mol×K 570.19 Joback Calculated Property
Cp,gas 336.36 J/mol×K 602.63 Joback Calculated Property
Cp,gas 347.53 J/mol×K 635.07 Joback Calculated Property

Pressure Dependent Properties

Property Value Unit Pressure (kPa) Source
Tboilr 347.20 K 1.90 NIST

Similar Compounds

(4Z,6e)-2,6-dimethyl-2,4,6-octatriene. 2,4,6-Octatriene, 2,6-dimethyl-, (E,Z)-. trans-Alloocimene. (4Z,6z)-2,6-dimethyl-2,4,6-octatriene. 2,4,6-Octatriene, 2,6-dimethyl-. 2,6-Dimethyl-octa-2,4,6-triene, cis. 1,6-Dimethylhepta-1,3,5-triene. 2,6-Dimethyl-1,3,5,7-octatetraene. 2,6-Dimethyl-1,3(E),5(Z),7-octatetraene. Cosmene. 2,6-Dimethyl-1,3,5,7-octatetraene, E,E-. 2,4-Hexadiene, 3-methyl-. 2,4-Dimethyl-2,4,6-octatriene. 2,4,6-Octatriene, 3,4-dimethyl-. (E,Z)-3,4-dimethyl-2,4,6-octatriene.

Find more compounds similar to allo- neo-Ocimene.

Sources

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