Chemical Properties of Propionic acid, 2-chloro-, isopropyl ester (CAS 40058-87-5)

InChI

InChI=1S/C6H11ClO2/c1-4(2)9-6(8)5(3)7/h4-5H,1-3H3

InChI Key

BOKVSRHWZPCJRN-UHFFFAOYSA-N

Formula

C6H11ClO2

SMILES

CC(C)OC(=O)C(C)Cl

Molecular Weight¹

150.60

CAS

40058-87-5

Other Names

• 2-Chloropropionic acid isopropyl ester
• Isopropyl 2-chloropropionate
• UN 2934
• Propionic acid, 2-chloro-, 1-methylethyl ester
• 1-Methylethyl 2-chloropropanoate
• Propanoic acid, 2-chloro-, 1-methylethyl ester
• Isopropyl, alpha-chloro propionate
• Isopropyl 2-chloropropanoate

• 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).
• 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
ΔfG°	-251.09	kJ/mol	Joback Calculated Property
ΔfH°gas	-438.27	kJ/mol	Joback Calculated Property
ΔfusH°	11.23	kJ/mol	Joback Calculated Property
ΔvapH°	41.72	kJ/mol	Joback Calculated Property
log10WS	-1.57		Crippen Calculated Property
logPoct/wat	1.565		Crippen Calculated Property
McVol	115.080	ml/mol	McGowan Calculated Property
Pc	3195.54	kPa	Joback Calculated Property
Inp	[866.00; 886.00]
Inp	873.00		NIST
Inp	866.00		NIST
Inp	886.00		NIST
Inp	885.00		NIST
Inp	880.00		NIST
Inp	876.00		NIST
Inp	876.00		NIST
Inp	873.00		NIST
Inp	876.00		NIST
I	[1216.00; 1264.00]
I	1233.00		NIST
I	1264.00		NIST
I	1229.00		NIST
I	1226.00		NIST
I	1216.00		NIST
Tboil	449.52	K	Joback Calculated Property
Tc	642.38	K	Joback Calculated Property
Tfus	229.46	K	Joback Calculated Property
Vc	0.432	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[225.19; 280.57]	J/mol×K	[449.52; 642.38]
Cp,gas	225.19	J/mol×K	449.52	Joback Calculated Property
Cp,gas	235.42	J/mol×K	481.66	Joback Calculated Property
Cp,gas	245.24	J/mol×K	513.81	Joback Calculated Property
Cp,gas	254.67	J/mol×K	545.95	Joback Calculated Property
Cp,gas	263.70	J/mol×K	578.09	Joback Calculated Property
Cp,gas	272.33	J/mol×K	610.24	Joback Calculated Property
Cp,gas	280.57	J/mol×K	642.38	Joback Calculated Property
η	[0.0002735; 0.0065779]	Pa×s	[229.46; 449.52]
η	0.0065779	Pa×s	229.46	Joback Calculated Property
η	0.0026871	Pa×s	266.14	Joback Calculated Property
η	0.0013635	Pa×s	302.81	Joback Calculated Property
η	0.0008011	Pa×s	339.49	Joback Calculated Property
η	0.0005221	Pa×s	376.17	Joback Calculated Property
η	0.0003672	Pa×s	412.84	Joback Calculated Property
η	0.0002735	Pa×s	449.52	Joback Calculated Property

Similar Compounds

Find more compounds similar to Propionic acid, 2-chloro-, isopropyl ester.

Sources

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

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