Chemical Properties of 1,2,4-Trichloro-3-iodobutane

InChI

InChI=1S/C4H6Cl3I/c5-1-3(7)4(8)2-6/h3-4H,1-2H2

InChI Key

KCMZWZSUXFIJLT-UHFFFAOYSA-N

Formula

C4H6Cl3I

SMILES

ClCC(Cl)C(I)CCl

Molecular Weight¹

287.35

• 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).
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate 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	[147.00; 260.75]	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			4.62520e+01
Coefficient B			4.55000e-01
Coefficient C			-3.42800e-04
Coefficient D			1.02300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	147.00	J/mol×K	273.00	Calculated Property
Cp,gas	168.85	J/mol×K	353.78	Calculated Property
Cp,gas	187.64	J/mol×K	434.56	Calculated Property
Cp,gas	203.69	J/mol×K	515.33	Calculated Property
Cp,gas	217.34	J/mol×K	596.11	Calculated Property
Cp,gas	228.90	J/mol×K	676.89	Calculated Property
Cp,gas	238.70	J/mol×K	757.67	Calculated Property
Cp,gas	247.06	J/mol×K	838.44	Calculated Property
Cp,gas	254.30	J/mol×K	919.22	Calculated Property
Cp,gas	260.75	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0084667; 0.0003205]	Pa×s	[252.66; 512.34]	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			-1.12313e+01
Coefficient B			1.63210e+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.			252.66
Temperature range, max.			512.34
η	0.0084667	Pa×s	252.66	Calculated Property
η	0.0043670	Pa×s	281.51	Calculated Property
η	0.0025475	Pa×s	310.37	Calculated Property
η	0.0016288	Pa×s	339.22	Calculated Property
η	0.0011170	Pa×s	368.07	Calculated Property
η	0.0008092	Pa×s	396.92	Calculated Property
η	0.0006124	Pa×s	425.78	Calculated Property
η	0.0004802	Pa×s	454.63	Calculated Property
η	0.0003876	Pa×s	483.48	Calculated Property
η	0.0003205	Pa×s	512.34	Calculated Property

Similar Compounds

Find more compounds similar to 1,2,4-Trichloro-3-iodobutane.

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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