Chemical Properties of 1,4-Heptadiene, 3-methyl- (CAS 1603-01-6)

1,4-Heptadiene, 3-methyl-

InChI
InChI=1S/C8H14/c1-4-6-7-8(3)5-2/h5-8H,2,4H2,1,3H3/b7-6+
InChI Key
FBJNXQPYIFUANI-VOTSOKGWSA-N
Formula
C8H14
SMILES
C=CC(C)C=CCC
Molecular Weight1
110.20
CAS
1603-01-6
Other Names
  • 3-Methyl-1,4-heptadiene
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Physical Properties

Property Value Unit Source
ΔfusH° 11.88 kJ/mol Joback Calculated Property
ΔvapH° 37.87 kJ/mol Relay (1.0) Calculated Property
IE 8.89 eV Relay (1.0) Calculated Property
logPoct/wat 2.775 Crippen Calculated Property
McVol 114.980 ml/mol McGowan Calculated Property
Inp [715.00; 715.00]   Show Hide
Inp 715.00 NIST
Inp 715.00 NIST
Tboil [378.10; 378.40] K Show Hide
Tboil 378.10 ± 0.40 K NIST
Tboil 378.40 ± 0.60 K NIST

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation 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 [151.07; 373.50] 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-2.32390e+01
Coefficient B7.69740e-01
Coefficient C-5.21300e-04
Coefficient D1.48300e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 151.07 J/mol×K 273.00 Calculated Property
Cp,gas 190.40 J/mol×K 353.78 Calculated Property
Cp,gas 224.98 J/mol×K 434.56 Calculated Property
Cp,gas 255.29 J/mol×K 515.33 Calculated Property
Cp,gas 281.78 J/mol×K 596.11 Calculated Property
Cp,gas 304.93 J/mol×K 676.89 Calculated Property
Cp,gas 325.21 J/mol×K 757.67 Calculated Property
Cp,gas 343.09 J/mol×K 838.44 Calculated Property
Cp,gas 359.03 J/mol×K 919.22 Calculated Property
Cp,gas 373.50 J/mol×K 1000.00 Calculated Property
Property Value Unit Temperature (K) Source
η [0.0081563; 0.0001762] Pa×s [158.08; 393.93] 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-1.12147e+01
Coefficient B1.01262e+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.158.08
Temperature range, max.393.93
η 0.0081563 Pa×s 158.08 Calculated Property
η 0.0032801 Pa×s 184.29 Calculated Property
η 0.0016550 Pa×s 210.49 Calculated Property
η 0.0009716 Pa×s 236.70 Calculated Property
η 0.0006343 Pa×s 262.90 Calculated Property
η 0.0004474 Pa×s 289.11 Calculated Property
η 0.0003344 Pa×s 315.31 Calculated Property
η 0.0002613 Pa×s 341.52 Calculated Property
η 0.0002116 Pa×s 367.73 Calculated Property
η 0.0001762 Pa×s 393.93 Calculated Property

Similar Compounds

1,4-Cyclohexadiene, 6-methyl. 3-Hexene, 2-methyl-, (Z)-. 3-Hexene, 2-methyl-, (E)-. 3-Hexene, 2-methyl. 1,3,6-Heptatriene, 5-methyl-. 1,4-Hexadiene, 3-ethyl-. 6-[(Z)-1-BUTENYL]-1,4-CYCLOHEPTADIENE. 3-Heptene, 2-methyl-, (E)-. 3-Heptene, 2-methyl-, cis. 3-Heptene, 2-methyl-. 1,4-Heptadiene. 1,trans-4-Heptadiene. 1,cis-4-heptadiene. trans-1-trans-4-hexadienyl-cyclopropane. cis-1-trans-4-hexadienyl-cyclopropane.

Find more compounds similar to 1,4-Heptadiene, 3-methyl-.

Sources

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