Chemical Properties of Chloroacetic acid, propyl ester (CAS 5396-24-7)

InChI

InChI=1S/C5H9ClO2/c1-2-3-8-5(7)4-6/h2-4H2,1H3

InChI Key

QJZNRCWAXUGABH-UHFFFAOYSA-N

Formula

C5H9ClO2

SMILES

CCCOC(=O)CCl

Molecular Weight¹

136.58

CAS

5396-24-7

Other Names

• Propyl chloroacetate
• Acetic acid, chloro-, propyl 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_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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	[-2762.00; -2753.00]	kJ/mol
ΔcH°liquid	-2762.00 ± 2.00	kJ/mol	NIST
ΔcH°liquid	-2761.90 ± 8.40	kJ/mol	NIST
ΔcH°liquid	-2753.00	kJ/mol	NIST
ΔfG°	-254.63	kJ/mol	Joback Calculated Property
ΔfH°gas	-467.40 ± 4.60	kJ/mol	NIST
ΔfH°liquid	-516.00 ± 2.00	kJ/mol	NIST
ΔfusH°	15.69	kJ/mol	Joback Calculated Property
ΔvapH°	40.27	kJ/mol	Joback Calculated Property
log10WS	-0.93		Crippen Calculated Property
logPoct/wat	1.178		Crippen Calculated Property
McVol	100.990	ml/mol	McGowan Calculated Property
Pc	3505.43	kPa	Joback Calculated Property
Inp	[870.00; 933.00]
Inp	907.00		NIST
Inp	878.00		NIST
Inp	872.00		NIST
Inp	870.00		NIST
Inp	918.00		NIST
Inp	920.00		NIST
Inp	902.50		NIST
Inp	933.00		NIST
Inp	907.00		NIST
Inp	920.00		NIST
I	[1370.00; 1423.00]
I	1381.00		NIST
I	1370.00		NIST
I	1410.00		NIST
I	1419.00		NIST
I	1420.00		NIST
I	1423.00		NIST
Tboil	427.52	K	Joback Calculated Property
Tc	613.54	K	Joback Calculated Property
Tfus	248.19	K	Joback Calculated Property
Vc	0.389	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[186.82; 232.29]	J/mol×K	[427.52; 613.54]
Cp,gas	186.82	J/mol×K	427.52	Joback Calculated Property
Cp,gas	195.11	J/mol×K	458.52	Joback Calculated Property
Cp,gas	203.12	J/mol×K	489.53	Joback Calculated Property
Cp,gas	210.84	J/mol×K	520.53	Joback Calculated Property
Cp,gas	218.28	J/mol×K	551.53	Joback Calculated Property
Cp,gas	225.43	J/mol×K	582.53	Joback Calculated Property
Cp,gas	232.29	J/mol×K	613.54	Joback Calculated Property
η	[0.0003154; 0.0029404]	Pa×s	[248.19; 427.52]
η	0.0029404	Pa×s	248.19	Joback Calculated Property
η	0.0016595	Pa×s	278.08	Joback Calculated Property
η	0.0010466	Pa×s	307.97	Joback Calculated Property
η	0.0007162	Pa×s	337.86	Joback Calculated Property
η	0.0005212	Pa×s	367.74	Joback Calculated Property
η	0.0003979	Pa×s	397.63	Joback Calculated Property
η	0.0003154	Pa×s	427.52	Joback Calculated Property
ΔfusH	13.00	kJ/mol	240.00	NIST
ΔvapH	48.50	kJ/mol	293.00	NIST

Similar Compounds

Find more compounds similar to Chloroacetic acid, propyl ester.

Sources

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

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