Chemical Properties of Cyclohexene, 3-(1-heptenyl)-4-(1,3-nonadienyl)- (CAS 56318-85-5)

InChI

InChI=1S/C22H36/c1-3-5-7-9-10-12-14-18-22-20-16-15-19-21(22)17-13-11-8-6-4-2/h10,12-15,17-19,21-22H,3-9,11,16,20H2,1-2H3/b12-10+,17-13+,18-14+

InChI Key

IQROVGHWWDUJID-HWMUKFTBSA-N

Formula

C22H36

SMILES

CCCCCC=CC=CC1CCC=CC1C=CCCCCC

Molecular Weight¹

300.52

CAS

56318-85-5

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, 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, 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	[387.85; 1023.02]	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			-1.11542e+02
Coefficient B			2.19344e+00
Coefficient C			-1.43728e-03
Coefficient D			3.78400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	387.85	J/mol×K	273.00	Calculated Property
Cp,gas	501.32	J/mol×K	353.78	Calculated Property
Cp,gas	601.27	J/mol×K	434.56	Calculated Property
Cp,gas	688.90	J/mol×K	515.33	Calculated Property
Cp,gas	765.41	J/mol×K	596.11	Calculated Property
Cp,gas	832.00	J/mol×K	676.89	Calculated Property
Cp,gas	889.85	J/mol×K	757.67	Calculated Property
Cp,gas	940.18	J/mol×K	838.44	Calculated Property
Cp,gas	984.17	J/mol×K	919.22	Calculated Property
Cp,gas	1023.02	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0023161; 0.0000969]	Pa×s	[326.36; 646.69]	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			-1.24765e+01
Coefficient B			2.09150e+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.			326.36
Temperature range, max.			646.69
η	0.0023161	Pa×s	326.36	Calculated Property
η	0.0012333	Pa×s	361.95	Calculated Property
η	0.0007352	Pa×s	397.54	Calculated Property
η	0.0004771	Pa×s	433.14	Calculated Property
η	0.0003307	Pa×s	468.73	Calculated Property
η	0.0002413	Pa×s	504.32	Calculated Property
η	0.0001836	Pa×s	539.91	Calculated Property
η	0.0001445	Pa×s	575.51	Calculated Property
η	0.0001169	Pa×s	611.10	Calculated Property
η	0.0000969	Pa×s	646.69	Calculated Property

Similar Compounds

Find more compounds similar to Cyclohexene, 3-(1-heptenyl)-4-(1,3-nonadienyl)-.

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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