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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[210.09; 258.01]	J/mol×K	[443.85; 645.61]
Cp,gas	210.09	J/mol×K	443.85	Joback Calculated Property
Cp,gas	219.43	J/mol×K	477.48	Joback Calculated Property
Cp,gas	228.20	J/mol×K	511.10	Joback Calculated Property
Cp,gas	236.43	J/mol×K	544.73	Joback Calculated Property
Cp,gas	244.13	J/mol×K	578.35	Joback Calculated Property
Cp,gas	251.31	J/mol×K	611.98	Joback Calculated Property
Cp,gas	258.01	J/mol×K	645.61	Joback Calculated Property
η	[0.0003249; 0.0068245]	Pa×s	[250.70; 443.85]
η	0.0068245	Pa×s	250.70	Joback Calculated Property
η	0.0030781	Pa×s	282.89	Joback Calculated Property
η	0.0016336	Pa×s	315.08	Joback Calculated Property
η	0.0009750	Pa×s	347.28	Joback Calculated Property
η	0.0006352	Pa×s	379.47	Joback Calculated Property
η	0.0004425	Pa×s	411.66	Joback Calculated Property
η	0.0003249	Pa×s	443.85	Joback 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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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