Chemical Properties of 2-Chloropropanoic acid butyl ester (CAS 54819-86-2)

InChI

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

InChI Key

KATNUXHENWPMQJ-UHFFFAOYSA-N

Formula

C7H13ClO2

SMILES

CCCCOC(=O)C(C)Cl

Molecular Weight¹

164.63

CAS

54819-86-2

Other Names

• Propanoic acid, 2-chloro-, butyl ester
• n-Butyl-2-chloropropionate
• Butyl 2-chloropropanoate
• butyl 2-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	[-4064.30; -4057.00]	kJ/mol
ΔcH°liquid	-4064.30 ± 8.40	kJ/mol	NIST
ΔcH°liquid	-4057.00	kJ/mol	NIST
ΔfG°	-240.23	kJ/mol	Joback Calculated Property
ΔfH°gas	-517.60 ± 9.60	kJ/mol	NIST
ΔfH°liquid	-572.00 ± 8.40	kJ/mol	NIST
ΔfusH°	17.35	kJ/mol	Joback Calculated Property
ΔvapH°	54.40 ± 4.20	kJ/mol	NIST
log10WS	-1.88		Crippen Calculated Property
logPoct/wat	1.957		Crippen Calculated Property
McVol	129.170	ml/mol	McGowan Calculated Property
Pc	2850.52	kPa	Joback Calculated Property
Inp	[1011.00; 1032.00]
Inp	1026.00		NIST
Inp	1027.00		NIST
Inp	Outlier 1011.00		NIST
Inp	1016.00		NIST
Inp	1023.00		NIST
Inp	1032.00		NIST
Inp	1029.00		NIST
Inp	1028.00		NIST
Inp	1026.00		NIST
Inp	1032.00		NIST
I	[1391.00; 1440.00]
I	1412.00		NIST
I	1396.00		NIST
I	1428.00		NIST
I	1437.00		NIST
I	1440.00		NIST
I	1432.00		NIST
I	1404.00		NIST
I	1391.00		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 2-Chloropropanoic acid butyl ester.

Sources

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

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