Chemical Properties of 1,6-Heptadiene, 3,3-dimethyl- (CAS 68701-61-1)

InChI

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

InChI Key

YWOCVROBRVNVFV-UHFFFAOYSA-N

Formula

C9H16

SMILES

C=CCCC(C)(C)C=C

Molecular Weight¹

124.22

CAS

68701-61-1

• 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).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• 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, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, 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	[175.33; 428.09]	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			-3.57480e+01
Coefficient B			9.44640e-01
Coefficient C			-6.83400e-04
Coefficient D			2.02600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	175.33	J/mol×K	273.00	Calculated Property
Cp,gas	221.88	J/mol×K	353.78	Calculated Property
Cp,gas	262.32	J/mol×K	434.56	Calculated Property
Cp,gas	297.29	J/mol×K	515.33	Calculated Property
Cp,gas	327.43	J/mol×K	596.11	Calculated Property
Cp,gas	353.38	J/mol×K	676.89	Calculated Property
Cp,gas	375.78	J/mol×K	757.67	Calculated Property
Cp,gas	395.27	J/mol×K	838.44	Calculated Property
Cp,gas	412.50	J/mol×K	919.22	Calculated Property
Cp,gas	428.09	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0082311; 0.0002414]	Pa×s	[190.09; 403.61]	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			-1.14709e+01
Coefficient B			1.26810e+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.			190.09
Temperature range, max.			403.61
η	0.0082311	Pa×s	190.09	Calculated Property
η	0.0039264	Pa×s	213.81	Calculated Property
η	0.0021714	Pa×s	237.54	Calculated Property
η	0.0013372	Pa×s	261.26	Calculated Property
η	0.0008927	Pa×s	284.99	Calculated Property
η	0.0006342	Pa×s	308.71	Calculated Property
η	0.0004730	Pa×s	332.44	Calculated Property
η	0.0003669	Pa×s	356.16	Calculated Property
η	0.0002938	Pa×s	379.88	Calculated Property
η	0.0002414	Pa×s	403.61	Calculated Property

Similar Compounds

Find more compounds similar to 1,6-Heptadiene, 3,3-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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