Chemical Properties of 1,3,6-Heptatriene, 5-methyl- (CAS 925-52-0)

InChI

InChI=1S/C8H12/c1-4-6-7-8(3)5-2/h4-8H,1-2H2,3H3/b7-6+

InChI Key

NDRUXLROLQGDNL-VOTSOKGWSA-N

Formula

C8H12

SMILES

C=CC=CC(C)C=C

Molecular Weight¹

108.18

CAS

925-52-0

Other Names

• CH2=CHCH=CHCH(CH3)CH=CH2
• 5-Methyl-1,3,6-heptatriene

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal melting (fusion) point, 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[188.98; 252.94]	J/mol×K	[379.52; 563.02]
Cp,gas	188.98	J/mol×K	379.52	Joback Calculated Property
Cp,gas	201.14	J/mol×K	410.10	Joback Calculated Property
Cp,gas	212.66	J/mol×K	440.69	Joback Calculated Property
Cp,gas	223.57	J/mol×K	471.27	Joback Calculated Property
Cp,gas	233.90	J/mol×K	501.86	Joback Calculated Property
Cp,gas	243.69	J/mol×K	532.44	Joback Calculated Property
Cp,gas	252.94	J/mol×K	563.02	Joback Calculated Property
η	[0.0001842; 0.0065053]	Pa×s	[156.32; 379.52]
η	0.0065053	Pa×s	156.32	Joback Calculated Property
η	0.0020289	Pa×s	193.52	Joback Calculated Property
η	0.0009214	Pa×s	230.72	Joback Calculated Property
η	0.0005210	Pa×s	267.92	Joback Calculated Property
η	0.0003385	Pa×s	305.12	Joback Calculated Property
η	0.0002416	Pa×s	342.32	Joback Calculated Property
η	0.0001842	Pa×s	379.52	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,3,6-Heptatriene, 5-methyl-.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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