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.

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Physical Properties

Property	Value	Unit	Source
ω	0.4153		Relay (1.0) Calculated Property
Δ_fG°	-149.63	kJ/mol	Joback Calculated Property
Δ_fH°_gas	-298.90	kJ/mol	Relay (1.0) Calculated Property
Δ_fusH°	14.50	kJ/mol	Joback Calculated Property
Δ_vapH°	47.03	kJ/mol	Relay (1.0) Calculated Property
IE	9.86	eV	Relay (1.0) Calculated Property
log₁₀WS	-0.46		Relay (1.0) Calculated Property
logP_oct/wat	1.594		Crippen Calculated Property
McVol	95.120	ml/mol	McGowan Calculated Property
P_c	3577.07	kPa	Joback Calculated Property
I_np	[965.00; 965.00]
I_np	965.00		NIST
I_np	965.00		NIST
T_boil	441.17	K	Relay (1.0) Calculated Property
T_c	627.77	K	Relay (1.0) Calculated Property
T_fus	233.66	K	Relay (1.0) Calculated Property
V_c	0.337	m³/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
C_p,gas	[166.17; 211.83]	J/mol×K	[405.10; 591.48]

C_p,gas	166.17	J/mol×K	405.10	Joback Calculated Property
C_p,gas	174.65	J/mol×K	436.16	Joback Calculated Property
C_p,gas	182.77	J/mol×K	467.23	Joback Calculated Property
C_p,gas	190.54	J/mol×K	498.29	Joback Calculated Property
C_p,gas	197.97	J/mol×K	529.35	Joback Calculated Property
C_p,gas	205.06	J/mol×K	560.42	Joback Calculated Property
C_p,gas	211.83	J/mol×K	591.48	Joback Calculated Property
η	[0.0003596; 0.0037554]	Pa×s	[225.96; 405.10]

η	0.0037554	Pa×s	225.96	Joback Calculated Property
η	0.0020219	Pa×s	255.82	Joback Calculated Property
η	0.0012390	Pa×s	285.67	Joback Calculated Property
η	0.0008330	Pa×s	315.53	Joback Calculated Property
η	0.0005998	Pa×s	345.39	Joback Calculated Property
η	0.0004551	Pa×s	375.24	Joback Calculated Property
η	0.0003596	Pa×s	405.10	Joback Calculated Property
P_vap	[2.91; 103.42]	kPa	[343.20; 454.00]

P_vap	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
P_vap	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
P_vap	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
P_vap	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
P_vap	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
P_vap	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
P_vap	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
P_vap	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
P_vap	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
P_vap	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
P_vap	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
P_vap	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
P_vap	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

Property	Value	Unit	Pressure (kPa)	Source
T_boilr	344.70	K	2.70	NIST

Similar Compounds

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

Mixtures

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

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