Chemical Properties of Cyclooctane, 1-chloro-2-(trichloromethyl)

InChI

InChI=1S/C9H14Cl4/c10-8-6-4-2-1-3-5-7(8)9(11,12)13/h7-8H,1-6H2

InChI Key

FYKGXBQOLMOWDP-UHFFFAOYSA-N

Formula

C9H14Cl4

SMILES

ClC1CCCCCCC1C(Cl)(Cl)Cl

Molecular Weight¹

264.02

• 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.
• 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

Property	Value	Unit	Source
ΔfusH°	17.15	kJ/mol	Joback Calculated Property
logPoct/wat	4.934		Crippen Calculated Property
McVol	175.770	ml/mol	McGowan Calculated Property
Inp	[1707.00; 1707.00]
Inp	1707.00		NIST
Inp	1707.00		NIST
Tboil	557.75	K	Relay (1.0) Calculated Property
Tfus	289.13	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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	[202.93; 513.49]	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			-4.81100e+01
Coefficient B			1.08820e+00
Coefficient C			-6.52000e-04
Coefficient D			1.25400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	202.93	J/mol×K	273.00	Calculated Property
Cp,gas	260.82	J/mol×K	353.78	Calculated Property
Cp,gas	311.94	J/mol×K	434.56	Calculated Property
Cp,gas	356.69	J/mol×K	515.33	Calculated Property
Cp,gas	395.45	J/mol×K	596.11	Calculated Property
Cp,gas	428.64	J/mol×K	676.89	Calculated Property
Cp,gas	456.64	J/mol×K	757.67	Calculated Property
Cp,gas	479.85	J/mol×K	838.44	Calculated Property
Cp,gas	498.67	J/mol×K	919.22	Calculated Property
Cp,gas	513.49	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0058243; 0.0001594]	Pa×s	[309.39; 579.80]	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			-1.28610e+01
Coefficient B			2.38702e+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.			309.39
Temperature range, max.			579.80
η	0.0058243	Pa×s	309.39	Calculated Property
η	0.0029421	Pa×s	339.44	Calculated Property
η	0.0016607	Pa×s	369.48	Calculated Property
η	0.0010217	Pa×s	399.53	Calculated Property
η	0.0006727	Pa×s	429.57	Calculated Property
η	0.0004678	Pa×s	459.62	Calculated Property
η	0.0003401	Pa×s	489.66	Calculated Property
η	0.0002566	Pa×s	519.71	Calculated Property
η	0.0001996	Pa×s	549.75	Calculated Property
η	0.0001594	Pa×s	579.80	Calculated Property

Similar Compounds

Find more compounds similar to Cyclooctane, 1-chloro-2-(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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