Chemical Properties of 3-Chloro-2,4-pentanedione (CAS 1694-29-7)

InChI

InChI=1S/C5H7ClO2/c1-3(7)5(6)4(2)8/h5H,1-2H3

InChI Key

VLRGXXKFHVJQOL-UHFFFAOYSA-N

Formula

C5H7ClO2

SMILES

CC(=O)C(Cl)C(C)=O

Molecular Weight¹

134.56

CAS

1694-29-7

Other Names

• 1-Acetyl-1-chloroacetone
• 2,4-Pentanedione, 3-chloro-
• 3-Chloro.2,4-pentanedione
• 3-Chloroacetylacetone
• 3-chloropentane-2,4-dione

• 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).
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (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

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[126.49; 264.13]	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			2.42700e+01
Coefficient B			4.35540e-01
Coefficient C			-2.34400e-04
Coefficient D			3.87200e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	126.49	J/mol×K	273.00	Calculated Property
Cp,gas	150.73	J/mol×K	353.78	Calculated Property
Cp,gas	172.45	J/mol×K	434.56	Calculated Property
Cp,gas	191.77	J/mol×K	515.33	Calculated Property
Cp,gas	208.81	J/mol×K	596.11	Calculated Property
Cp,gas	223.69	J/mol×K	676.89	Calculated Property
Cp,gas	236.55	J/mol×K	757.67	Calculated Property
Cp,gas	247.49	J/mol×K	838.44	Calculated Property
Cp,gas	256.64	J/mol×K	919.22	Calculated Property
Cp,gas	264.13	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0046009; 0.0003845]	Pa×s	[260.89; 463.15]	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			-1.10650e+01
Coefficient B			1.48276e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			260.89
Temperature range, max.			463.15
η	0.0046009	Pa×s	260.89	Calculated Property
η	0.0029315	Pa×s	283.36	Calculated Property
η	0.0019957	Pa×s	305.84	Calculated Property
η	0.0014321	Pa×s	328.31	Calculated Property
η	0.0010723	Pa×s	350.78	Calculated Property
η	0.0008313	Pa×s	373.25	Calculated Property
η	0.0006634	Pa×s	395.73	Calculated Property
η	0.0005425	Pa×s	418.20	Calculated Property
η	0.0004527	Pa×s	440.67	Calculated Property
η	0.0003845	Pa×s	463.15	Calculated Property

Similar Compounds

Find more compounds similar to 3-Chloro-2,4-pentanedione.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.