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_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

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

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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