Chemical Properties of Cyclohexane, 1-bromo-2-(trichloromethyl), trans

InChI

InChI=1S/C7H10BrCl3/c8-6-4-2-1-3-5(6)7(9,10)11/h5-6H,1-4H2/t5-,6-/m0/s1

InChI Key

YHUWUUJETKWTKY-PHDIDXHHSA-N

Formula

C7H10BrCl3

SMILES

ClC(Cl)(Cl)[C@H]1CCCC[C@@H]1Br

Molecular Weight¹

280.42

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization 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

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, 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	[170.87; 407.55]	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			-4.07500e+01
Coefficient B			9.48800e-01
Coefficient C			-6.87000e-04
Coefficient D			1.86500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	170.87	J/mol×K	273.00	Calculated Property
Cp,gas	217.19	J/mol×K	353.78	Calculated Property
Cp,gas	257.13	J/mol×K	434.56	Calculated Property
Cp,gas	291.28	J/mol×K	515.33	Calculated Property
Cp,gas	320.22	J/mol×K	596.11	Calculated Property
Cp,gas	344.55	J/mol×K	676.89	Calculated Property
Cp,gas	364.86	J/mol×K	757.67	Calculated Property
Cp,gas	381.74	J/mol×K	838.44	Calculated Property
Cp,gas	395.77	J/mol×K	919.22	Calculated Property
Cp,gas	407.55	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0036780; 0.0003078]	Pa×s	[323.77; 564.03]	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			-1.14287e+01
Coefficient B			1.88542e+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.			323.77
Temperature range, max.			564.03
η	0.0036780	Pa×s	323.77	Calculated Property
η	0.0023603	Pa×s	350.47	Calculated Property
η	0.0016129	Pa×s	377.16	Calculated Property
η	0.0011590	Pa×s	403.86	Calculated Property
η	0.0008677	Pa×s	430.55	Calculated Property
η	0.0006720	Pa×s	457.25	Calculated Property
η	0.0005353	Pa×s	483.95	Calculated Property
η	0.0004366	Pa×s	510.64	Calculated Property
η	0.0003634	Pa×s	537.34	Calculated Property
η	0.0003078	Pa×s	564.03	Calculated Property

Similar Compounds

Find more compounds similar to Cyclohexane, 1-bromo-2-(trichloromethyl), trans.

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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