Chemical Properties of Propanoic acid, 3-chloro-, ethyl ester (CAS 623-71-2)

InChI

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

InChI Key

ZCLGVXACCAZJOX-UHFFFAOYSA-N

Formula

C5H9ClO2

SMILES

CCOC(=O)CCCl

Molecular Weight¹

136.58

CAS

623-71-2

Other Names

• Propionic acid, 3-chloro-, ethyl ester
• Ethyl 3-chloropropionate
• Ethyl «beta»-chloropropionate
• Ethyl 3-chloropropanoate
• 3-Chloropropionic acid, ethyl 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_fusH° : Enthalpy of fusion at standard conditions (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	[-2752.00; -2750.00]	kJ/mol
ΔcH°liquid	-2752.00 ± 4.00	kJ/mol	NIST
ΔcH°liquid	-2750.00	kJ/mol	NIST
ΔfG°	-254.63	kJ/mol	Joback Calculated Property
ΔfH°gas	-407.07	kJ/mol	Joback Calculated Property
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	[880.00; 910.00]
Inp	902.00		NIST
Inp	897.00		NIST
Inp	Outlier 880.00		NIST
Inp	904.00		NIST
Inp	910.00		NIST
Inp	901.00		NIST
Inp	900.00		NIST
Inp	894.00		NIST
I	[1372.00; 1421.00]
I	1388.00		NIST
I	1400.00		NIST
I	1407.00		NIST
I	1397.00		NIST
I	1412.00		NIST
I	1378.00		NIST
I	1372.00		NIST
I	1421.00		NIST
Tboil	435.20	K	NIST
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
ΔvapH	56.00	kJ/mol	337.00	NIST

Similar Compounds

Find more compounds similar to Propanoic acid, 3-chloro-, ethyl ester.

Sources

• 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.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.