Chemical Properties of 2-chloropropionyl chloride (CAS 7623-09-8)

InChI

InChI=1S/C3H4Cl2O/c1-2(4)3(5)6/h2H,1H3

InChI Key

JEQDSBVHLKBEIZ-UHFFFAOYSA-N

Formula

C3H4Cl2O

SMILES

CC(Cl)C(=O)Cl

Molecular Weight¹

126.97

CAS

7623-09-8

Other Names

• Alpha-chloropropionyl chloride

• 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.
• 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	0.3051		Relay (1.0) Calculated Property
ΔfG°	-180.84	kJ/mol	Joback Calculated Property
ΔfH°gas	-289.86	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	10.00	kJ/mol	Joback Calculated Property
ΔvapH°	37.92	kJ/mol	Relay (1.0) Calculated Property
IE	10.60	eV	Relay (1.0) Calculated Property
log10WS	-0.99		Relay (1.0) Calculated Property
logPoct/wat	1.379		Crippen Calculated Property
McVol	79.180	ml/mol	McGowan Calculated Property
Pc	4391.59	kPa	Joback Calculated Property
Inp	[739.40; 739.40]
Inp	739.40		NIST
Inp	739.40		NIST
Tboil	379.34	K	Relay (1.0) Calculated Property
Tc	590.23	K	Relay (1.0) Calculated Property
Tfus	248.40	K	Relay (1.0) Calculated Property
Vc	0.288	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[96.54; 180.20]	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			3.16200e+01
Coefficient B			2.80320e-01
Coefficient C			-1.64700e-04
Coefficient D			3.29600e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	96.54	J/mol×K	273.00	Calculated Property
Cp,gas	111.64	J/mol×K	353.78	Calculated Property
Cp,gas	125.04	J/mol×K	434.56	Calculated Property
Cp,gas	136.85	J/mol×K	515.33	Calculated Property
Cp,gas	147.18	J/mol×K	596.11	Calculated Property
Cp,gas	156.13	J/mol×K	676.89	Calculated Property
Cp,gas	163.80	J/mol×K	757.67	Calculated Property
Cp,gas	170.30	J/mol×K	838.44	Calculated Property
Cp,gas	175.73	J/mol×K	919.22	Calculated Property
Cp,gas	180.20	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0050802; 0.0003499]	Pa×s	[218.34; 419.07]	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			-1.08680e+01
Coefficient B			1.21957e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			218.34
Temperature range, max.			419.07
η	0.0050802	Pa×s	218.34	Calculated Property
η	0.0030273	Pa×s	240.64	Calculated Property
η	0.0019696	Pa×s	262.95	Calculated Property
η	0.0013705	Pa×s	285.25	Calculated Property
η	0.0010051	Pa×s	307.55	Calculated Property
η	0.0007687	Pa×s	329.85	Calculated Property
η	0.0006083	Pa×s	352.16	Calculated Property
η	0.0004949	Pa×s	374.46	Calculated Property
η	0.0004121	Pa×s	396.76	Calculated Property
η	0.0003499	Pa×s	419.07	Calculated Property

Similar Compounds

Find more compounds similar to 2-chloropropionyl chloride.

Sources

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

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