Chemical Properties of 3-Chloropropanoic acid 2-methylpropyl ester (CAS 62108-68-3)

InChI

InChI=1S/C7H13ClO2/c1-6(2)5-10-7(9)3-4-8/h6H,3-5H2,1-2H3

InChI Key

NLGHCSSXCMOGKD-UHFFFAOYSA-N

Formula

C7H13ClO2

SMILES

CC(C)COC(=O)CCCl

Molecular Weight¹

164.63

CAS

62108-68-3

Other Names

• Propanoic acid, 3-chloro-, 2-methylpropyl ester
• 3-Chloropropionic acid, 2-methylpropyl ester
• Isobutyl 3-chloropropionate

• 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	[-4063.50; -4056.00]	kJ/mol
ΔcH°liquid	-4063.50 ± 8.40	kJ/mol	NIST
ΔcH°liquid	-4056.00	kJ/mol	NIST
ΔfG°	-240.23	kJ/mol	Joback Calculated Property
ΔfH°gas	-517.60 ± 9.60	kJ/mol	NIST
ΔfH°liquid	-572.80 ± 8.40	kJ/mol	NIST
ΔfusH°	17.35	kJ/mol	Joback Calculated Property
ΔvapH°	55.20 ± 4.20	kJ/mol	NIST
log10WS	-1.53		Crippen Calculated Property
logPoct/wat	1.814		Crippen Calculated Property
McVol	129.170	ml/mol	McGowan Calculated Property
Pc	2850.52	kPa	Joback Calculated Property
Inp	[1045.00; 1067.00]
Inp	1049.00		NIST
Inp	1045.00		NIST
Inp	1067.00		NIST
Inp	1062.00		NIST
Inp	1058.00		NIST
Inp	1060.00		NIST
Inp	1056.00		NIST
Inp	1049.00		NIST
Inp	1060.00		NIST
I	[1489.00; 1503.00]
I	1492.00		NIST
I	1503.00		NIST
I	1493.00		NIST
I	1492.00		NIST
I	1489.00		NIST
Tboil	472.84	K	Joback Calculated Property
Tc	659.46	K	Joback Calculated Property
Tfus	255.73	K	Joback Calculated Property
Vc	0.494	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[265.41; 325.59]	J/mol×K	[472.84; 659.46]
Cp,gas	265.41	J/mol×K	472.84	Joback Calculated Property
Cp,gas	276.52	J/mol×K	503.94	Joback Calculated Property
Cp,gas	287.19	J/mol×K	535.05	Joback Calculated Property
Cp,gas	297.44	J/mol×K	566.15	Joback Calculated Property
Cp,gas	307.25	J/mol×K	597.25	Joback Calculated Property
Cp,gas	316.63	J/mol×K	628.35	Joback Calculated Property
Cp,gas	325.59	J/mol×K	659.46	Joback Calculated Property
η	[0.0002680; 0.0043091]	Pa×s	[255.73; 472.84]
η	0.0043091	Pa×s	255.73	Joback Calculated Property
η	0.0020358	Pa×s	291.92	Joback Calculated Property
η	0.0011348	Pa×s	328.10	Joback Calculated Property
η	0.0007104	Pa×s	364.28	Joback Calculated Property
η	0.0004840	Pa×s	400.47	Joback Calculated Property
η	0.0003514	Pa×s	436.65	Joback Calculated Property
η	0.0002680	Pa×s	472.84	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-Chloropropanoic acid 2-methylpropyl ester.

Sources

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

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