Chemical Properties of 1,3-Dichloroisopropyl isobutyrate

InChI

InChI=1S/C7H12Cl2O2/c1-5(2)6(10)11-7(3,9)4-8/h5H,4H2,1-3H3

InChI Key

KYRAJGTUGZGYCT-UHFFFAOYSA-N

Formula

C7H12Cl2O2

SMILES

CC(C)C(=O)OC(C)(Cl)CCl

Molecular Weight¹

199.07

• 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.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	15.71	kJ/mol	Joback Calculated Property
logPoct/wat	2.379		Crippen Calculated Property
McVol	141.410	ml/mol	McGowan Calculated Property
Inp	[1158.00; 1158.00]
Inp	1158.00		NIST
Inp	1158.00		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, 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	[195.35; 407.12]	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			2.15610e+01
Coefficient B			7.59360e-01
Coefficient C			-4.78200e-04
Coefficient D			1.04400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	195.35	J/mol×K	273.00	Calculated Property
Cp,gas	234.98	J/mol×K	353.78	Calculated Property
Cp,gas	269.81	J/mol×K	434.56	Calculated Property
Cp,gas	300.18	J/mol×K	515.33	Calculated Property
Cp,gas	326.41	J/mol×K	596.11	Calculated Property
Cp,gas	348.84	J/mol×K	676.89	Calculated Property
Cp,gas	367.80	J/mol×K	757.67	Calculated Property
Cp,gas	383.61	J/mol×K	838.44	Calculated Property
Cp,gas	396.61	J/mol×K	919.22	Calculated Property
Cp,gas	407.12	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0091323; 0.0002569]	Pa×s	[258.24; 483.30]	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			-1.23643e+01
Coefficient B			1.98028e+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.			258.24
Temperature range, max.			483.30
η	0.0091323	Pa×s	258.24	Calculated Property
η	0.0046404	Pa×s	283.25	Calculated Property
η	0.0026317	Pa×s	308.25	Calculated Property
η	0.0016251	Pa×s	333.26	Calculated Property
η	0.0010734	Pa×s	358.27	Calculated Property
η	0.0007484	Pa×s	383.27	Calculated Property
η	0.0005454	Pa×s	408.28	Calculated Property
η	0.0004122	Pa×s	433.29	Calculated Property
η	0.0003212	Pa×s	458.29	Calculated Property
η	0.0002569	Pa×s	483.30	Calculated Property

Similar Compounds

Find more compounds similar to 1,3-Dichloroisopropyl isobutyrate.

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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