Chemical Properties of Octanal, 2-(phenylmethylene)- (CAS 101-86-0)

Octanal, 2-(phenylmethylene)-

InChI
InChI=1S/C15H20O/c1-2-3-4-6-11-15(13-16)12-14-9-7-5-8-10-14/h5,7-10,12-13H,2-4,6,11H2,1H3/b15-12-
InChI Key
GUUHFMWKWLOQMM-QINSGFPZSA-N
Formula
C15H20O
SMILES
CCCCCCC(C=O)=Cc1ccccc1
Molecular Weight1
216.32
CAS
101-86-0
Other Names
  • 2-(Phenylmethylene)octanal
  • 2-Hexyl-3-phenyl-2-propenal
  • 2-Hexyl-3-phenyl-propenal
  • 2-Hexylcinnamaldehyde
  • Cinnamaldehyde, «alpha»-hexyl-
  • Hexyl cinnamic aldehyde
  • Hexylcinnamaldehyde
  • NSC 406799
  • n-Hexyl cinnamaldehyde
  • «alpha»-Hexylcinnamaldehyde
  • «alpha»-Hexylcinnamic aldehyde
  • «alpha»-Hexylcinnamyl aldehyde
  • «alpha»-n-Hexyl-«beta»-phenylacrolein
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Physical Properties

Property Value Unit Source
ΔfusH° 29.83 kJ/mol Joback Calculated Property
logPoct/wat 4.239 Crippen Calculated Property
McVol 195.720 ml/mol McGowan Calculated Property
Inp [1726.20; 1770.00]   Show Hide
Inp 1726.20 NIST
Inp 1728.00 NIST
Inp 1750.00 NIST
Inp 1747.00 NIST
Inp 1746.00 NIST
Inp 1743.00 NIST
Inp 1746.00 NIST
Inp 1764.00 NIST
Inp 1763.00 NIST
Inp 1764.00 NIST
Inp 1765.00 NIST
Inp 1766.00 NIST
Inp 1770.00 NIST
Inp 1746.00 NIST
Inp 1728.00 NIST
Inp 1727.00 NIST
Inp 1746.00 NIST
Inp 1726.20 NIST
Inp 1764.00 NIST
Inp 1770.00 NIST
I 2309.00 NIST
Tboil 576.47 K Relay (1.0) Calculated Property
Tfus 271.05 K Relay (1.0) Calculated Property

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

Pressure Dependent Properties

Property Value Unit Pressure (kPa) Source
Tboilr 448.20 K 2.00 NIST

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [257.49; 634.60] 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-4.71250e+01
Coefficient B1.34432e+00
Coefficient C-9.02500e-04
Coefficient D2.39900e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 257.49 J/mol×K 273.00 Calculated Property
Cp,gas 326.13 J/mol×K 353.78 Calculated Property
Cp,gas 386.32 J/mol×K 434.56 Calculated Property
Cp,gas 438.80 J/mol×K 515.33 Calculated Property
Cp,gas 484.35 J/mol×K 596.11 Calculated Property
Cp,gas 523.73 J/mol×K 676.89 Calculated Property
Cp,gas 557.68 J/mol×K 757.67 Calculated Property
Cp,gas 586.97 J/mol×K 838.44 Calculated Property
Cp,gas 612.35 J/mol×K 919.22 Calculated Property
Cp,gas 634.60 J/mol×K 1000.00 Calculated Property

Similar Compounds

«alpha»-Heptylcinnamic aldehyde. Cinnamaldehyde, «alpha»-pentyl-. (E)-2-Hexyl-cinnamaldehyde. (Z)-2-Hexyl-cinnamaldehyde. Amylcinnamaldehyde. «alpha»-Butylcinnamic aldehyde. Propylcinnamic aldehyde. Cyclohexanone, 2,6-bis(phenylmethylene)-. (E)-amylcinnamic alcohol. 2-Benzylidene-1-heptanol. 1-Heptanol, 2-(phenylmethylene)-, acetate. Bicyclo[2.2.1]heptan-2-one, 1,7,7-trimethyl-3-(phenylmethylene)-. Benzene, 1-octenyl-. Benzene, 1-heptenyl-, (E). 1-Phenyldodec-1-en-3-one.

Find more compounds similar to Octanal, 2-(phenylmethylene)-.

Sources

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