Chemical Properties of Acetic acid, dichloro-, 1-methylethyl ester (CAS 25006-60-4)

InChI

InChI=1S/C5H8Cl2O2/c1-3(2)9-5(8)4(6)7/h3-4H,1-2H3

InChI Key

JBTISLVNJCYZCH-UHFFFAOYSA-N

Formula

C5H8Cl2O2

SMILES

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

Molecular Weight¹

171.02

CAS

25006-60-4

Other Names

• Isopropyl dichloroacetate

• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• 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.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°liquid	[-2618.00; -2613.00]	kJ/mol
ΔcH°liquid	-2618.00 ± 4.00	kJ/mol	NIST
ΔcH°liquid	-2613.00	kJ/mol	NIST
ΔfH°gas	-509.58	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	14.42	kJ/mol	Joback Calculated Property
ΔvapH°	49.37	kJ/mol	Relay (1.0) Calculated Property
IE	10.61	eV	Relay (1.0) Calculated Property
log10WS	-1.63		Relay (1.0) Calculated Property
logPoct/wat	1.742		Crippen Calculated Property
McVol	113.230	ml/mol	McGowan Calculated Property
Pc	3261.58	kPa	Joback Calculated Property
Inp	[918.00; 920.80]
Inp	920.80		NIST
Inp	918.00		NIST
Inp	918.00		NIST
I	[1345.00; 1345.00]
I	1345.00		NIST
I	1345.00		NIST
Tboil	416.34	K	Relay (1.0) Calculated Property
Tc	623.39	K	Relay (1.0) Calculated Property
Tfus	243.79	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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	[207.46; 254.56]	J/mol×K	[446.20; 644.22]
Cp,gas	207.46	J/mol×K	446.20	Joback Calculated Property
Cp,gas	216.33	J/mol×K	479.20	Joback Calculated Property
Cp,gas	224.80	J/mol×K	512.21	Joback Calculated Property
Cp,gas	232.85	J/mol×K	545.21	Joback Calculated Property
Cp,gas	240.49	J/mol×K	578.21	Joback Calculated Property
Cp,gas	247.73	J/mol×K	611.22	Joback Calculated Property
Cp,gas	254.56	J/mol×K	644.22	Joback Calculated Property
η	[0.0002869; 0.0118259]	Pa×s	[218.28; 446.20]
η	0.0118259	Pa×s	218.28	Joback Calculated Property
η	0.0040191	Pa×s	256.27	Joback Calculated Property
η	0.0018049	Pa×s	294.25	Joback Calculated Property
η	0.0009733	Pa×s	332.24	Joback Calculated Property
η	0.0005958	Pa×s	370.23	Joback Calculated Property
η	0.0003996	Pa×s	408.21	Joback Calculated Property
η	0.0002869	Pa×s	446.20	Joback Calculated Property

Similar Compounds

Find more compounds similar to Acetic acid, dichloro-, 1-methylethyl ester.

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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