Chemical Properties of CHLOROACETIC ACID, 3-CHLOROPROPYL ESTER

InChI

InChI=1S/C5H8Cl2O2/c6-2-1-3-9-5(8)4-7/h1-4H2

InChI Key

CWZVJVDIQWKNJX-UHFFFAOYSA-N

Formula

C5H8Cl2O2

SMILES

O=C(CCl)OCCCCl

Molecular Weight¹

171.02

Other Names

• 1-Propanol, 3-chloro, chloroacetate
• 3-chloropropyl chloroacetate

• 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).
• 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).
• 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
ΔfH°gas	-492.54	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	21.47	kJ/mol	Joback Calculated Property
ΔvapH°	51.67	kJ/mol	Relay (1.0) Calculated Property
IE	10.47	eV	Relay (1.0) Calculated Property
logPoct/wat	1.397		Crippen Calculated Property
McVol	113.230	ml/mol	McGowan Calculated Property
Inp	[1118.00; 1138.00]
Inp	1138.00		NIST
Inp	1118.00		NIST
Inp	1130.00		NIST
Inp	1128.00		NIST
Inp	1134.00		NIST
I	[1848.00; 1909.00]
I	1848.00		NIST
I	1851.00		NIST
I	1890.00		NIST
I	1896.00		NIST
I	1902.00		NIST
I	1909.00		NIST
I	1848.00		NIST
I	1909.00		NIST
Tboil	478.05	K	Relay (1.0) Calculated Property
Tc	687.43	K	Relay (1.0) Calculated Property
Tfus	237.73	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l 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	[207.14; 251.63]	J/mol×K	[447.08; 636.23]
Cp,gas	207.14	J/mol×K	447.08	Joback Calculated Property
Cp,gas	215.45	J/mol×K	478.61	Joback Calculated Property
Cp,gas	223.40	J/mol×K	510.13	Joback Calculated Property
Cp,gas	230.99	J/mol×K	541.66	Joback Calculated Property
Cp,gas	238.22	J/mol×K	573.18	Joback Calculated Property
Cp,gas	245.10	J/mol×K	604.71	Joback Calculated Property
Cp,gas	251.63	J/mol×K	636.23	Joback Calculated Property
η	[0.0003145; 0.0047299]	Pa×s	[248.28; 447.08]
η	0.0047299	Pa×s	248.28	Joback Calculated Property
η	0.0023074	Pa×s	281.41	Joback Calculated Property
η	0.0013094	Pa×s	314.55	Joback Calculated Property
η	0.0008278	Pa×s	347.68	Joback Calculated Property
η	0.0005668	Pa×s	380.81	Joback Calculated Property
η	0.0004123	Pa×s	413.95	Joback Calculated Property
η	0.0003145	Pa×s	447.08	Joback Calculated Property

Similar Compounds

Find more compounds similar to CHLOROACETIC ACID, 3-CHLOROPROPYL 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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