Chemical Properties of 2-Chloroethyl propionate (CAS 1487-40-7)

InChI

InChI=1S/C5H9ClO2/c1-2-5(7)8-4-3-6/h2-4H2,1H3

InChI Key

VKSJVMZEQNIBNA-UHFFFAOYSA-N

Formula

C5H9ClO2

SMILES

CCC(=O)OCCCl

Molecular Weight¹

136.58

CAS

1487-40-7

Other Names

• Ethanol, 2-chloro-, propanoate
• 2-Chloroethyl propanoate

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.4545		Relay (1.0) Calculated Property
ΔfG°	-331.08	kJ/mol	Joback Calculated Property
ΔfH°gas	-483.54	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	17.27	kJ/mol	Joback Calculated Property
ΔvapH°	46.64	kJ/mol	Relay (1.0) Calculated Property
IE	10.41	eV	Relay (1.0) Calculated Property
log10WS	-1.08		Relay (1.0) Calculated Property
logPoct/wat	1.178		Crippen Calculated Property
McVol	100.990	ml/mol	McGowan Calculated Property
Pc	3341.24	kPa	Joback Calculated Property
Inp	[903.00; 961.00]
Inp	903.00		NIST
Inp	909.00		NIST
Inp	920.00		NIST
Inp	Outlier 961.00		NIST
Inp	916.00		NIST
Inp	916.00		NIST
Inp	903.00		NIST
I	[1378.00; 1432.00]
I	1378.00		NIST
I	1378.00		NIST
I	1426.00		NIST
I	1391.00		NIST
I	1432.00		NIST
I	1409.00		NIST
I	1409.00		NIST
Tboil	431.91	K	Relay (1.0) Calculated Property
Tc	617.59	K	Relay (1.0) Calculated Property
Tfus	219.31	K	Relay (1.0) Calculated Property
Vc	0.374	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[141.29; 293.66]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			3.66430e+01
Coefficient B			4.30820e-01
Coefficient C			-1.74000e-04
Coefficient D			2.00000e-10
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	141.29	J/mol×K	273.00	Calculated Property
Cp,gas	167.29	J/mol×K	353.78	Calculated Property
Cp,gas	191.02	J/mol×K	434.56	Calculated Property
Cp,gas	212.48	J/mol×K	515.33	Calculated Property
Cp,gas	231.67	J/mol×K	596.11	Calculated Property
Cp,gas	248.60	J/mol×K	676.89	Calculated Property
Cp,gas	263.26	J/mol×K	757.67	Calculated Property
Cp,gas	275.66	J/mol×K	838.44	Calculated Property
Cp,gas	285.79	J/mol×K	919.22	Calculated Property
Cp,gas	293.66	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0053321; 0.0002913]	Pa×s	[218.36; 414.31]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.13811e+01
Coefficient B			1.34228e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			218.36
Temperature range, max.			414.31
η	0.0053321	Pa×s	218.36	Calculated Property
η	0.0030539	Pa×s	240.13	Calculated Property
η	0.0019189	Pa×s	261.90	Calculated Property
η	0.0012948	Pa×s	283.68	Calculated Property
η	0.0009241	Pa×s	305.45	Calculated Property
η	0.0006898	Pa×s	327.22	Calculated Property
η	0.0005341	Pa×s	348.99	Calculated Property
η	0.0004261	Pa×s	370.77	Calculated Property
η	0.0003486	Pa×s	392.54	Calculated Property
η	0.0002913	Pa×s	414.31	Calculated Property

Similar Compounds

Find more compounds similar to 2-Chloroethyl propionate.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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