Chemical Properties of 1,3-Heptadiene, 5,5-dimethyl-

InChI

InChI=1S/C9H16/c1-5-7-8-9(3,4)6-2/h5,7-8H,1,6H2,2-4H3/b8-7+

InChI Key

WJRREHJZVOKKFR-BQYQJAHWSA-N

Formula

C9H16

SMILES

C=C/C=C/C(C)(C)CC

Molecular Weight¹

124.23

Other Names

• 5,5-dimethyl-1,3-heptadiene

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, 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	[171.13; 426.02]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-4.69390e+01
Coefficient B			9.84660e-01
Coefficient C			-7.44300e-04
Coefficient D			2.32600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	171.13	J/mol×K	273.00	Calculated Property
Cp,gas	218.56	J/mol×K	353.78	Calculated Property
Cp,gas	259.49	J/mol×K	434.56	Calculated Property
Cp,gas	294.66	J/mol×K	515.33	Calculated Property
Cp,gas	324.81	J/mol×K	596.11	Calculated Property
Cp,gas	350.68	J/mol×K	676.89	Calculated Property
Cp,gas	373.00	J/mol×K	757.67	Calculated Property
Cp,gas	392.51	J/mol×K	838.44	Calculated Property
Cp,gas	409.94	J/mol×K	919.22	Calculated Property
Cp,gas	426.02	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0092550; 0.0001994]	Pa×s	[186.77; 412.64]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.16939e+01
Coefficient B			1.30950e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			186.77
Temperature range, max.			412.64
η	0.0092550	Pa×s	186.77	Calculated Property
η	0.0040336	Pa×s	211.87	Calculated Property
η	0.0020961	Pa×s	236.96	Calculated Property
η	0.0012347	Pa×s	262.06	Calculated Property
η	0.0007978	Pa×s	287.16	Calculated Property
η	0.0005530	Pa×s	312.25	Calculated Property
η	0.0004048	Pa×s	337.35	Calculated Property
η	0.0003094	Pa×s	362.44	Calculated Property
η	0.0002448	Pa×s	387.54	Calculated Property
η	0.0001994	Pa×s	412.64	Calculated Property

Similar Compounds

Find more compounds similar to 1,3-Heptadiene, 5,5-dimethyl-.

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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