Chemical Properties of 2-Pentanone, 5-chloro- (CAS 5891-21-4)

InChI

InChI=1S/C5H9ClO/c1-5(7)3-2-4-6/h2-4H2,1H3

InChI Key

XVRIEWDDMODMGA-UHFFFAOYSA-N

Formula

C5H9ClO

SMILES

CC(=O)CCCCl

Molecular Weight¹

120.58

CAS

5891-21-4

Other Names

• 1-chloro-4-pentanone
• 3-Acetylpropyl chloride
• 3-chloropropyl methyl ketone
• 5-chloro-2-pentanone
• 5-chloropentan-2-one

• 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).
• P_vap : Vapor pressure (kPa).
• I_np : Non-polar retention indices.
• 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

Property	Value	Unit	Source
ω	0.4153		Relay (1.0) Calculated Property
ΔfG°	-149.63	kJ/mol	Joback Calculated Property
ΔfH°gas	-298.90	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	14.50	kJ/mol	Joback Calculated Property
ΔvapH°	48.45	kJ/mol	Relay (1.0) Calculated Property
IE	9.86	eV	Relay (1.0) Calculated Property
log10WS	-0.46		Relay (1.0) Calculated Property
logPoct/wat	1.594		Crippen Calculated Property
McVol	95.120	ml/mol	McGowan Calculated Property
Pc	3577.07	kPa	Joback Calculated Property
Inp	[965.00; 965.00]
Inp	965.00		NIST
Inp	965.00		NIST
Tboil	441.17	K	Relay (1.0) Calculated Property
Tc	635.88	K	Relay (1.0) Calculated Property
Tfus	231.15	K	Relay (1.0) Calculated Property
Vc	0.344	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Pvap	[2.91; 103.42]	kPa	[343.20; 454.00]
Pvap	2.91	kPa	343.20	Density, Viscosity, and Vapor-Liquid Equilibrium Data for the Binary Mixture at Atmosphere Pressure: Cyclopropyl Methyl Ketone + 2-Acetylbutyrolactone, Cyclopropyl Methyl Ketone + 5-Chloro-2-pentanone
Pvap	4.66	kPa	353.10	Density, Viscosity, and Vapor-Liquid Equilibrium Data for the Binary Mixture at Atmosphere Pressure: Cyclopropyl Methyl Ketone + 2-Acetylbutyrolactone, Cyclopropyl Methyl Ketone + 5-Chloro-2-pentanone
Pvap	7.15	kPa	363.10	Density, Viscosity, and Vapor-Liquid Equilibrium Data for the Binary Mixture at Atmosphere Pressure: Cyclopropyl Methyl Ketone + 2-Acetylbutyrolactone, Cyclopropyl Methyl Ketone + 5-Chloro-2-pentanone
Pvap	10.50	kPa	373.80	Density, Viscosity, and Vapor-Liquid Equilibrium Data for the Binary Mixture at Atmosphere Pressure: Cyclopropyl Methyl Ketone + 2-Acetylbutyrolactone, Cyclopropyl Methyl Ketone + 5-Chloro-2-pentanone
Pvap	20.79	kPa	393.80	Density, Viscosity, and Vapor-Liquid Equilibrium Data for the Binary Mixture at Atmosphere Pressure: Cyclopropyl Methyl Ketone + 2-Acetylbutyrolactone, Cyclopropyl Methyl Ketone + 5-Chloro-2-pentanone
Pvap	30.23	kPa	404.60	Density, Viscosity, and Vapor-Liquid Equilibrium Data for the Binary Mixture at Atmosphere Pressure: Cyclopropyl Methyl Ketone + 2-Acetylbutyrolactone, Cyclopropyl Methyl Ketone + 5-Chloro-2-pentanone
Pvap	41.16	kPa	413.80	Density, Viscosity, and Vapor-Liquid Equilibrium Data for the Binary Mixture at Atmosphere Pressure: Cyclopropyl Methyl Ketone + 2-Acetylbutyrolactone, Cyclopropyl Methyl Ketone + 5-Chloro-2-pentanone
Pvap	52.60	kPa	423.80	Density, Viscosity, and Vapor-Liquid Equilibrium Data for the Binary Mixture at Atmosphere Pressure: Cyclopropyl Methyl Ketone + 2-Acetylbutyrolactone, Cyclopropyl Methyl Ketone + 5-Chloro-2-pentanone
Pvap	62.27	kPa	433.50	Density, Viscosity, and Vapor-Liquid Equilibrium Data for the Binary Mixture at Atmosphere Pressure: Cyclopropyl Methyl Ketone + 2-Acetylbutyrolactone, Cyclopropyl Methyl Ketone + 5-Chloro-2-pentanone
Pvap	72.35	kPa	438.10	Density, Viscosity, and Vapor-Liquid Equilibrium Data for the Binary Mixture at Atmosphere Pressure: Cyclopropyl Methyl Ketone + 2-Acetylbutyrolactone, Cyclopropyl Methyl Ketone + 5-Chloro-2-pentanone
Pvap	81.58	kPa	443.60	Density, Viscosity, and Vapor-Liquid Equilibrium Data for the Binary Mixture at Atmosphere Pressure: Cyclopropyl Methyl Ketone + 2-Acetylbutyrolactone, Cyclopropyl Methyl Ketone + 5-Chloro-2-pentanone
Pvap	92.85	kPa	449.30	Density, Viscosity, and Vapor-Liquid Equilibrium Data for the Binary Mixture at Atmosphere Pressure: Cyclopropyl Methyl Ketone + 2-Acetylbutyrolactone, Cyclopropyl Methyl Ketone + 5-Chloro-2-pentanone
Pvap	103.42	kPa	454.00	Density, Viscosity, and Vapor-Liquid Equilibrium Data for the Binary Mixture at Atmosphere Pressure: Cyclopropyl Methyl Ketone + 2-Acetylbutyrolactone, Cyclopropyl Methyl Ketone + 5-Chloro-2-pentanone

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[125.88; 274.57]	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			1.85930e+01
Coefficient B			4.57620e-01
Coefficient C			-2.49900e-04
Coefficient D			4.82600e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	125.88	J/mol×K	273.00	Calculated Property
Cp,gas	151.35	J/mol×K	353.78	Calculated Property
Cp,gas	174.22	J/mol×K	434.56	Calculated Property
Cp,gas	194.66	J/mol×K	515.33	Calculated Property
Cp,gas	212.81	J/mol×K	596.11	Calculated Property
Cp,gas	228.82	J/mol×K	676.89	Calculated Property
Cp,gas	242.85	J/mol×K	757.67	Calculated Property
Cp,gas	255.05	J/mol×K	838.44	Calculated Property
Cp,gas	265.57	J/mol×K	919.22	Calculated Property
Cp,gas	274.57	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0037554; 0.0003369]	Pa×s	[225.96; 414.24]	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			-1.08897e+01
Coefficient B			1.19875e+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.			225.96
Temperature range, max.			414.24
η	0.0037554	Pa×s	225.96	Calculated Property
η	0.0023957	Pa×s	246.88	Calculated Property
η	0.0016394	Pa×s	267.80	Calculated Property
η	0.0011853	Pa×s	288.72	Calculated Property
η	0.0008954	Pa×s	309.64	Calculated Property
η	0.0007008	Pa×s	330.56	Calculated Property
η	0.0005648	Pa×s	351.48	Calculated Property
η	0.0004663	Pa×s	372.40	Calculated Property
η	0.0003929	Pa×s	393.32	Calculated Property
η	0.0003369	Pa×s	414.24	Calculated Property

Similar Compounds

Find more compounds similar to 2-Pentanone, 5-chloro-.

Mixtures

• Ethanone, 1-cyclopropyl- + 2-Pentanone, 5-chloro-

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Density, Viscosity, and Vapor-Liquid Equilibrium Data for the Binary Mixture at Atmosphere Pressure: Cyclopropyl Methyl Ketone + 2-Acetylbutyrolactone, Cyclopropyl Methyl Ketone + 5-Chloro-2-pentanone
• Joback Method
• McGowan Method
• NIST Webbook

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