Chemical Properties of Propanoic acid, 3-chloro- (CAS 107-94-8)

InChI

InChI=1S/C3H5ClO2/c4-2-1-3(5)6/h1-2H2,(H,5,6)

InChI Key

QEYMMOKECZBKAC-UHFFFAOYSA-N

Formula

C3H5ClO2

SMILES

O=C(O)CCCl

Molecular Weight¹

108.52

CAS

107-94-8

Other Names

• Propionic acid, 3-chloro-
• «beta»-Chloropropionic acid
• «beta»-Monochloropropionic acid
• 3-Chloropropanoic acid
• 3-Chloropropionic acid

• ω : Acentric Factor.
• Δ_cH°_solid : Standard solid 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).
• 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.
• 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	0.6288		Relay (1.0) Calculated Property
ΔcH°solid	[-1370.00; -1366.00]	kJ/mol
ΔcH°solid	-1370.00 ± 3.00	kJ/mol	NIST
ΔcH°solid	-1366.00	kJ/mol	NIST
ΔfG°	-381.46	kJ/mol	Joback Calculated Property
ΔfH°gas	-482.12	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	17.87	kJ/mol	Joback Calculated Property
ΔvapH°	69.48	kJ/mol	Relay (1.0) Calculated Property
IE	10.89	eV	Relay (1.0) Calculated Property
log10WS	0.13		Relay (1.0) Calculated Property
logPoct/wat	0.700		Crippen Calculated Property
McVol	72.810	ml/mol	McGowan Calculated Property
Pc	4730.11	kPa	Joback Calculated Property
Inp	[960.40; 970.00]
Inp	970.00		NIST
Inp	960.40		NIST
Inp	960.40		NIST
Inp	970.00		NIST
Tboil	477.20	K	NIST
Tc	695.47	K	Relay (1.0) Calculated Property
Tfus	314.00 ± 4.00	K	NIST
Vc	0.260	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[96.15; 193.15]	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			1.76520e+01
Coefficient B			3.46400e-01
Coefficient C			-2.32400e-04
Coefficient D			6.15000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	96.15	J/mol×K	273.00	Calculated Property
Cp,gas	113.84	J/mol×K	353.78	Calculated Property
Cp,gas	129.34	J/mol×K	434.56	Calculated Property
Cp,gas	142.86	J/mol×K	515.33	Calculated Property
Cp,gas	154.59	J/mol×K	596.11	Calculated Property
Cp,gas	164.72	J/mol×K	676.89	Calculated Property
Cp,gas	173.45	J/mol×K	757.67	Calculated Property
Cp,gas	180.96	J/mol×K	838.44	Calculated Property
Cp,gas	187.47	J/mol×K	919.22	Calculated Property
Cp,gas	193.15	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0016249; 0.0003520]	Pa×s	[314.00; 457.25]	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			-1.13050e+01
Coefficient B			1.53318e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			314.00
Temperature range, max.			457.25
η	0.0016249	Pa×s	314.00	Calculated Property
η	0.0012839	Pa×s	329.92	Calculated Property
η	0.0010367	Pa×s	345.83	Calculated Property
η	0.0008530	Pa×s	361.75	Calculated Property
η	0.0007134	Pa×s	377.67	Calculated Property
η	0.0006054	Pa×s	393.58	Calculated Property
η	0.0005204	Pa×s	409.50	Calculated Property
η	0.0004523	Pa×s	425.42	Calculated Property
η	0.0003972	Pa×s	441.33	Calculated Property
η	0.0003520	Pa×s	457.25	Calculated Property

Similar Compounds

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

Sources

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

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