Chemical Properties of Cyclooctene, 3-trichloromethyl

InChI

InChI=1S/C9H13Cl3/c10-9(11,12)8-6-4-2-1-3-5-7-8/h4,6,8H,1-3,5,7H2/b6-4+

InChI Key

SXAVYDLPOKHCML-GQCTYLIASA-N

Formula

C9H13Cl3

SMILES

ClC(Cl)(Cl)C1C=CCCCCC1

Molecular Weight¹

227.56

• 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).
• IE : Ionization energy (eV).
• 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

Property	Value	Unit	Source
ΔfusH°	13.10	kJ/mol	Joback Calculated Property
IE	9.53	eV	Relay (1.0) Calculated Property
logPoct/wat	4.493		Crippen Calculated Property
McVol	159.230	ml/mol	McGowan Calculated Property
Inp	[1447.00; 1447.00]
Inp	1447.00		NIST
Inp	1447.00		NIST

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, 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	[180.78; 467.26]	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			-5.91600e+01
Coefficient B			1.05190e+00
Coefficient C			-6.74280e-04
Coefficient D			1.48800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	180.78	J/mol×K	273.00	Calculated Property
Cp,gas	235.18	J/mol×K	353.78	Calculated Property
Cp,gas	282.83	J/mol×K	434.56	Calculated Property
Cp,gas	324.22	J/mol×K	515.33	Calculated Property
Cp,gas	359.80	J/mol×K	596.11	Calculated Property
Cp,gas	390.07	J/mol×K	676.89	Calculated Property
Cp,gas	415.47	J/mol×K	757.67	Calculated Property
Cp,gas	436.49	J/mol×K	838.44	Calculated Property
Cp,gas	453.60	J/mol×K	919.22	Calculated Property
Cp,gas	467.26	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0088298; 0.0001525]	Pa×s	[284.47; 555.26]	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			-1.30526e+01
Coefficient B			2.36763e+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.			284.47
Temperature range, max.			555.26
η	0.0088298	Pa×s	284.47	Calculated Property
η	0.0039830	Pa×s	314.56	Calculated Property
η	0.0020646	Pa×s	344.65	Calculated Property
η	0.0011893	Pa×s	374.73	Calculated Property
η	0.0007436	Pa×s	404.82	Calculated Property
η	0.0004962	Pa×s	434.91	Calculated Property
η	0.0003489	Pa×s	465.00	Calculated Property
η	0.0002560	Pa×s	495.08	Calculated Property
η	0.0001947	Pa×s	525.17	Calculated Property
η	0.0001525	Pa×s	555.26	Calculated Property

Similar Compounds

Find more compounds similar to Cyclooctene, 3-trichloromethyl.

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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