Chemical Properties of Heptafulvene (CAS 539-79-7)

Heptafulvene

InChI
InChI=1S/C8H8/c1-8-6-4-2-3-5-7-8/h2-7H,1H2
InChI Key
GGKMDDDYCSVHMU-UHFFFAOYSA-N
Formula
C8H8
SMILES
C=C1C=CC=CC=C1
Molecular Weight1
104.15
CAS
539-79-7
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Physical Properties

Property Value Unit Source
ΔfusH° 7.65 kJ/mol Joback Calculated Property
IE 7.74 eV Relay (1.0) Calculated Property
logPoct/wat 2.225 Crippen Calculated Property
McVol 95.520 ml/mol McGowan Calculated Property
Tfus 234.92 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, 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, 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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [107.00; 286.44] 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-3.54200e+01
Coefficient B6.17300e-01
Coefficient C-3.70840e-04
Coefficient D7.54000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 107.00 J/mol×K 273.00 Calculated Property
Cp,gas 139.89 J/mol×K 353.78 Calculated Property
Cp,gas 168.99 J/mol×K 434.56 Calculated Property
Cp,gas 194.53 J/mol×K 515.33 Calculated Property
Cp,gas 216.75 J/mol×K 596.11 Calculated Property
Cp,gas 235.90 J/mol×K 676.89 Calculated Property
Cp,gas 252.20 J/mol×K 757.67 Calculated Property
Cp,gas 265.90 J/mol×K 838.44 Calculated Property
Cp,gas 277.23 J/mol×K 919.22 Calculated Property
Cp,gas 286.44 J/mol×K 1000.00 Calculated Property
Property Value Unit Temperature (K) Source
η [0.0042265; 0.0001771] Pa×s [203.98; 438.74] Joback Predicted correlation Show Hide
EquationY = exp(A + B/T + C·ln(T) + D·T^E)
Y is η in Pa×s, T in K
Coefficient A-1.13951e+01
Coefficient B1.20935e+03
Coefficient C0.00000e+00
Coefficient D0.00000e+00
Coefficient E0.00000e+00
CommentLiquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.203.98
Temperature range, max.438.74
η 0.0042265 Pa×s 203.98 Calculated Property
η 0.0021580 Pa×s 230.06 Calculated Property
η 0.0012635 Pa×s 256.15 Calculated Property
η 0.0008167 Pa×s 282.23 Calculated Property
η 0.0005684 Pa×s 308.32 Calculated Property
η 0.0004186 Pa×s 334.40 Calculated Property
η 0.0003222 Pa×s 360.49 Calculated Property
η 0.0002569 Pa×s 386.57 Calculated Property
η 0.0002108 Pa×s 412.66 Calculated Property
η 0.0001771 Pa×s 438.74 Calculated Property

Similar Compounds

1,3,5-Cycloheptatriene-7-(2,4,6-cycloheptatrien-1-ylidene)-. 1,6-Dimethylhepta-1,3,5-triene. Cosmene. 2,6-Dimethyl-1,3,5,7-octatetraene. 2,6-Dimethyl-1,3(E),5(Z),7-octatetraene. 2,6-Dimethyl-1,3,5,7-octatetraene, E,E-. Cycloheptatrienyl radical. (4Z,6z)-2,6-dimethyl-2,4,6-octatriene. allo- neo-Ocimene. trans-Alloocimene. 2,6-Dimethyl-octa-2,4,6-triene, cis. (4Z,6e)-2,6-dimethyl-2,4,6-octatriene. 2,4,6-Octatriene, 2,6-dimethyl-. 2,4,6-Octatriene, 2,6-dimethyl-, (E,Z)-. 1,3-Cyclopentadiene, 5-(1-methylethylidene)-.

Find more compounds similar to Heptafulvene.

Sources

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