Chemical Properties of Propanoic acid, 3-chloro-, methyl ester (CAS 6001-87-2)

InChI

InChI=1S/C4H7ClO2/c1-7-4(6)2-3-5/h2-3H2,1H3

InChI Key

GZGJIACHBCQSPC-UHFFFAOYSA-N

Formula

C4H7ClO2

SMILES

COC(=O)CCCl

Molecular Weight¹

122.55

CAS

6001-87-2

Other Names

• Propionic acid, 3-chloro-, methyl ester
• Methyl 3-chloropropionate
• USAF do-7

• 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).
• 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	-2098.00	kJ/mol	NIST
ΔfG°	-263.05	kJ/mol	Joback Calculated Property
ΔfH°gas	-386.43	kJ/mol	Joback Calculated Property
ΔfusH°	13.10	kJ/mol	Joback Calculated Property
ΔvapH°	38.04	kJ/mol	Joback Calculated Property
log10WS	-0.51		Crippen Calculated Property
logPoct/wat	0.788		Crippen Calculated Property
McVol	86.900	ml/mol	McGowan Calculated Property
Pc	3940.66	kPa	Joback Calculated Property
Inp	[799.00; 857.30]
Inp	833.00		NIST
Inp	829.00		NIST
Inp	819.00		NIST
Inp	Outlier 799.00		NIST
Inp	838.00		NIST
Inp	823.00		NIST
Inp	831.00		NIST
Inp	833.00		NIST
Inp	824.00		NIST
Inp	823.00		NIST
Inp	825.00		NIST
Inp	Outlier 857.30		NIST
I	[1330.00; 1400.00]
I	1353.00		NIST
I	1330.00		NIST
I	1362.00		NIST
I	1378.00		NIST
I	1358.00		NIST
I	1339.00		NIST
I	1332.00		NIST
I	Outlier 1400.00		NIST
I	1353.00		NIST
I	1339.00		NIST
Tboil	429.20	K	NIST
Tc	592.13	K	Joback Calculated Property
Tfus	236.92	K	Joback Calculated Property
Vc	0.333	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[151.10; 188.84]	J/mol×K	[404.64; 592.13]
Cp,gas	151.10	J/mol×K	404.64	Joback Calculated Property
Cp,gas	157.93	J/mol×K	435.89	Joback Calculated Property
Cp,gas	164.55	J/mol×K	467.14	Joback Calculated Property
Cp,gas	170.96	J/mol×K	498.39	Joback Calculated Property
Cp,gas	177.14	J/mol×K	529.63	Joback Calculated Property
Cp,gas	183.10	J/mol×K	560.88	Joback Calculated Property
Cp,gas	188.84	J/mol×K	592.13	Joback Calculated Property
η	[0.0003259; 0.0027868]	Pa×s	[236.92; 404.64]
η	0.0027868	Pa×s	236.92	Joback Calculated Property
η	0.0016136	Pa×s	264.87	Joback Calculated Property
η	0.0010371	Pa×s	292.83	Joback Calculated Property
η	0.0007199	Pa×s	320.78	Joback Calculated Property
η	0.0005298	Pa×s	348.73	Joback Calculated Property
η	0.0004081	Pa×s	376.69	Joback Calculated Property
η	0.0003259	Pa×s	404.64	Joback Calculated Property

Similar Compounds

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