Chemical Properties of 1,3-Dichloroisopropyl acetate

InChI

InChI=1S/C5H8Cl2O2/c1-4(8)9-5(2,7)3-6/h3H2,1-2H3

InChI Key

IRHULXVERSLUEJ-UHFFFAOYSA-N

Formula

C5H8Cl2O2

SMILES

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

Molecular Weight¹

171.02

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• 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
ΔfH°gas	-571.54	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	14.05	kJ/mol	Joback Calculated Property
ΔvapH°	53.34	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	1.743		Crippen Calculated Property
McVol	113.230	ml/mol	McGowan Calculated Property
Pc	3272.78	kPa	Joback Calculated Property
Inp	[1026.00; 1026.00]
Inp	1026.00		NIST
Inp	1026.00		NIST
Tboil	446.34	K	Relay (1.0) Calculated Property
Tfus	228.43	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, 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	[153.24; 303.40]	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			2.50610e+01
Coefficient B			5.63440e-01
Coefficient C			-3.66200e-04
Coefficient D			8.11000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	153.24	J/mol×K	273.00	Calculated Property
Cp,gas	182.15	J/mol×K	353.78	Calculated Property
Cp,gas	207.41	J/mol×K	434.56	Calculated Property
Cp,gas	229.27	J/mol×K	515.33	Calculated Property
Cp,gas	247.98	J/mol×K	596.11	Calculated Property
Cp,gas	263.81	J/mol×K	676.89	Calculated Property
Cp,gas	277.01	J/mol×K	757.67	Calculated Property
Cp,gas	287.84	J/mol×K	838.44	Calculated Property
Cp,gas	296.55	J/mol×K	919.22	Calculated Property
Cp,gas	303.40	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0068245; 0.0003027]	Pa×s	[250.70; 451.92]	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			-1.19842e+01
Coefficient B			1.75414e+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.			250.70
Temperature range, max.			451.92
η	0.0068245	Pa×s	250.70	Calculated Property
η	0.0038482	Pa×s	273.06	Calculated Property
η	0.0023665	Pa×s	295.42	Calculated Property
η	0.0015584	Pa×s	317.77	Calculated Property
η	0.0010841	Pa×s	340.13	Calculated Property
η	0.0007887	Pa×s	362.49	Calculated Property
η	0.0005954	Pa×s	384.85	Calculated Property
η	0.0004636	Pa×s	407.21	Calculated Property
η	0.0003705	Pa×s	429.57	Calculated Property
η	0.0003027	Pa×s	451.92	Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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