Chemical Properties of 1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl-, (E)- (CAS 40716-66-3)

1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl-, (E)-

InChI
InChI=1S/C15H26O/c1-6-15(5,16)12-8-11-14(4)10-7-9-13(2)3/h6,9,11,16H,1,7-8,10,12H2,2-5H3/b14-11+
InChI Key
FQTLCLSUCSAZDY-SDNWHVSQSA-N
Formula
C15H26O
SMILES
C=CC(C)(O)CC/C=C(\C)CCC=C(C)C
Molecular Weight1
222.37
CAS
40716-66-3
Other Names
  • (.+-.)-trans-nerolidol
  • (.+/-.)-trans-Nerolidol
  • (6E)-3,7,11-trimethyl-1,6,10-dodecatrien-3-ol
  • (6E)-Nerolidol
  • (E)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol
  • (E)-nerolidol
  • 1-geranyl-2-methyl-3-buten-2-ol
  • 3,7,11-Trimethyl-1,6,10-dodecatrien-3-ol, (E)-
  • E-Nerolidol
  • Nerolidol, E-
  • Nerolidol, trans
  • Trans-(E)-Nerolidol
  • trans-3,7,11-Trimethyl-dodeca-1,6,10-trien-3-ol
  • trans-Nerolidol
  • trans-«beta»-Nerolidol
  • +/--trans-Nerolidol
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Physical Properties

Property Value Unit Source
ΔfusH° 27.78 kJ/mol Joback Calculated Property
ΔvapH° 81.18 kJ/mol Relay (1.0) Calculated Property
log10WS -3.81 Relay (1.0) Calculated Property
logPoct/wat 4.396 Crippen Calculated Property
McVol 215.180 ml/mol McGowan Calculated Property
Inp [1520.00; 1591.00]   Show Hide
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Tboil 550.64 K Relay (1.0) Calculated Property
Tfus 274.36 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
ΔvapH 92.70 kJ/mol 298.00 Evaluation of vaporization enthalpies and liquid vapor pressures of cedrol, nerolidol, and 1-adamantanol by correlation gas chromatography

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [297.22; 723.11] 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-6.06660e+01
Coefficient B1.60848e+00
Coefficient C-1.18950e-03
Coefficient D3.64800e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 297.22 J/mol×K 273.00 Calculated Property
Cp,gas 375.65 J/mol×K 353.78 Calculated Property
Cp,gas 443.62 J/mol×K 434.56 Calculated Property
Cp,gas 502.27 J/mol×K 515.33 Calculated Property
Cp,gas 552.75 J/mol×K 596.11 Calculated Property
Cp,gas 596.23 J/mol×K 676.89 Calculated Property
Cp,gas 633.85 J/mol×K 757.67 Calculated Property
Cp,gas 666.77 J/mol×K 838.44 Calculated Property
Cp,gas 696.14 J/mol×K 919.22 Calculated Property
Cp,gas 723.11 J/mol×K 1000.00 Calculated Property

Similar Compounds

1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl-. 1,6,10,14-Hexadecatetraen-3-ol, 3,7,11,15-tetramethyl-, (E,E)-. Nerolidol. Nerolidol isomer. Linalool. (R)-linalool. ( S)-linalool. 1,6,9-Dodecatrien-3-ol, 3,7,11-trimethyl-. Fokienol. (E,E)-Farnesa-1,6,9-trien-3,11-diol. 9-Hydroxynerolidol. 2,7-Octadiene-1,6-diol, 2,6-dimethyl-, (Z)-. 2,7-Octadiene-1,6-diol, 2,6-dimethyl-. 2,7-Octadiene-1,6-diol, 2,6-dimethyl-, (E)-. 6,7-dihydronerolidol.

Find more compounds similar to 1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl-, (E)-.

Sources

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