Chemical Properties of 1,3,5-Cycloheptatriene, 7-ethyl- (CAS 17634-51-4)

InChI

InChI=1S/C9H12/c1-2-9-7-5-3-4-6-8-9/h3-9H,2H2,1H3

InChI Key

DKCPRYXLHFWDCQ-UHFFFAOYSA-N

Formula

C9H12

SMILES

CCC1C=CC=CC=C1

Molecular Weight¹

120.19

CAS

17634-51-4

Other Names

• 7-Ethyl-1,3,5-cycloheptatriene
• 7-Ethylcycloheptatriene

• 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).
• 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	[133.97; 376.60]	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			-5.26790e+01
Coefficient B			8.03320e-01
Coefficient C			-4.62240e-04
Coefficient D			8.82000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	133.97	J/mol×K	273.00	Calculated Property
Cp,gas	177.57	J/mol×K	353.78	Calculated Property
Cp,gas	216.36	J/mol×K	434.56	Calculated Property
Cp,gas	250.61	J/mol×K	515.33	Calculated Property
Cp,gas	280.62	J/mol×K	596.11	Calculated Property
Cp,gas	306.64	J/mol×K	676.89	Calculated Property
Cp,gas	328.98	J/mol×K	757.67	Calculated Property
Cp,gas	347.90	J/mol×K	838.44	Calculated Property
Cp,gas	363.68	J/mol×K	919.22	Calculated Property
Cp,gas	376.60	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0056906; 0.0001845]	Pa×s	[197.33; 448.49]	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			-1.12919e+01
Coefficient B			1.20824e+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.			197.33
Temperature range, max.			448.49
η	0.0056906	Pa×s	197.33	Calculated Property
η	0.0026650	Pa×s	225.24	Calculated Property
η	0.0014753	Pa×s	253.14	Calculated Property
η	0.0009184	Pa×s	281.05	Calculated Property
η	0.0006229	Pa×s	308.95	Calculated Property
η	0.0004505	Pa×s	336.86	Calculated Property
η	0.0003424	Pa×s	364.77	Calculated Property
η	0.0002706	Pa×s	392.67	Calculated Property
η	0.0002206	Pa×s	420.58	Calculated Property
η	0.0001845	Pa×s	448.49	Calculated Property

Similar Compounds

Find more compounds similar to 1,3,5-Cycloheptatriene, 7-ethyl-.

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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