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_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• 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).
• V_c : Critical Volume (m³/kmol).
• 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
ΔfG°	-187.81	kJ/mol	Joback Calculated Property
ΔfH°gas	-343.00 ± 9.60	kJ/mol	NIST
ΔfH°liquid	-395.00 ± 8.40	kJ/mol	NIST
ΔfusH°	15.39	kJ/mol	Joback Calculated Property
ΔvapH°	52.30 ± 4.20	kJ/mol	NIST
log10WS	-2.19		Crippen Calculated Property
logPoct/wat	2.086		Crippen Calculated Property
McVol	121.170	ml/mol	McGowan Calculated Property
Pc	3452.08	kPa	Joback 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	495.83	K	Joback Calculated Property
Tc	711.57	K	Joback Calculated Property
Tfus	308.69	K	Joback Calculated Property
Vc	0.457	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[217.41; 254.75]	J/mol×K	[495.83; 711.57]
Cp,gas	217.41	J/mol×K	495.83	Joback Calculated Property
Cp,gas	224.92	J/mol×K	531.79	Joback Calculated Property
Cp,gas	231.88	J/mol×K	567.74	Joback Calculated Property
Cp,gas	238.31	J/mol×K	603.70	Joback Calculated Property
Cp,gas	244.25	J/mol×K	639.66	Joback Calculated Property
Cp,gas	249.72	J/mol×K	675.61	Joback Calculated Property
Cp,gas	254.75	J/mol×K	711.57	Joback Calculated Property
η	[0.0003259; 0.0030869]	Pa×s	[308.69; 495.83]
η	0.0030869	Pa×s	308.69	Joback Calculated Property
η	0.0017869	Pa×s	339.88	Joback Calculated Property
η	0.0011340	Pa×s	371.07	Joback Calculated Property
η	0.0007722	Pa×s	402.26	Joback Calculated Property
η	0.0005558	Pa×s	433.45	Joback Calculated Property
η	0.0004180	Pa×s	464.64	Joback Calculated Property
η	0.0003259	Pa×s	495.83	Joback Calculated Property

Similar Compounds

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

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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