Chemical Properties of Trichloroacetic acid 2-propenyl ester (CAS 6304-34-3)

InChI

InChI=1S/C5H5Cl3O2/c1-2-3-10-4(9)5(6,7)8/h2H,1,3H2

InChI Key

LJQCONXCOYBYIE-UHFFFAOYSA-N

Formula

C5H5Cl3O2

SMILES

C=CCOC(=O)C(Cl)(Cl)Cl

Molecular Weight¹

203.45

CAS

6304-34-3

Other Names

• Allyl trichloroacetate
• Acetic acid, trichloro-, allyl ester
• Acetic acid, trichloro-, 2-propenyl ester
• Trichloroacetic acid allyl ester

• 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_fH°_liquid : Liquid phase 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).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°liquid	[-2356.00; -2349.00]	kJ/mol
ΔcH°liquid	-2356.00 ± 4.00	kJ/mol	NIST
ΔcH°liquid	-2349.00	kJ/mol	NIST
ΔfH°gas	-343.00 ± 9.60	kJ/mol	NIST
ΔfH°liquid	-395.00 ± 8.40	kJ/mol	NIST
ΔfusH°	16.97	kJ/mol	Joback Calculated Property
ΔvapH°	52.30 ± 4.20	kJ/mol	NIST
IE	10.50	eV	Relay (1.0) Calculated Property
log10WS	-2.37		Relay (1.0) Calculated Property
logPoct/wat	2.086		Crippen Calculated Property
McVol	121.170	ml/mol	McGowan Calculated Property
Inp	[1027.00; 1044.00]
Inp	1027.00		NIST
Inp	1044.00		NIST
Inp	1044.00		NIST
Inp	1027.00		NIST
Inp	1044.00		NIST
I	[1467.00; 1467.00]
I	1467.00		NIST
I	1467.00		NIST
Tboil	451.43	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, 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	[216.12; 255.03]	J/mol×K	[477.96; 690.57]
Cp,gas	216.12	J/mol×K	477.96	Joback Calculated Property
Cp,gas	224.04	J/mol×K	513.39	Joback Calculated Property
Cp,gas	231.35	J/mol×K	548.83	Joback Calculated Property
Cp,gas	238.07	J/mol×K	584.26	Joback Calculated Property
Cp,gas	244.24	J/mol×K	619.70	Joback Calculated Property
Cp,gas	249.89	J/mol×K	655.13	Joback Calculated Property
Cp,gas	255.03	J/mol×K	690.57	Joback Calculated Property
η	[0.0003111; 0.0050092]	Pa×s	[278.86; 477.96]
η	0.0050092	Pa×s	278.86	Joback Calculated Property
η	0.0024642	Pa×s	312.04	Joback Calculated Property
η	0.0013893	Pa×s	345.23	Joback Calculated Property
η	0.0008661	Pa×s	378.41	Joback Calculated Property
η	0.0005827	Pa×s	411.59	Joback Calculated Property
η	0.0004159	Pa×s	444.78	Joback Calculated Property
η	0.0003111	Pa×s	477.96	Joback Calculated Property

Similar Compounds

Find more compounds similar to Trichloroacetic acid 2-propenyl ester.

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

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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