Chemical Properties of 2-Butanone, 3-chloro- (CAS 4091-39-8)

InChI

InChI=1S/C4H7ClO/c1-3(5)4(2)6/h3H,1-2H3

InChI Key

OIMRLHCSLQUXLL-UHFFFAOYSA-N

Formula

C4H7ClO

SMILES

CC(=O)C(C)Cl

Molecular Weight¹

106.55

CAS

4091-39-8

Other Names

• 1-Chloroethyl methyl ketone
• 2-Chloro-3-butanone
• 3-Chloro-2-butanone
• 3-Chlorobutanone
• 3-chlorobutan-2-one

• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• 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_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
ΔfG°	-160.49	kJ/mol	Joback Calculated Property
ΔfH°gas	-259.49	kJ/mol	Joback Calculated Property
ΔfusH°	8.39	kJ/mol	Joback Calculated Property
ΔvapH°	35.24	kJ/mol	Joback Calculated Property
log10WS	-1.04		Crippen Calculated Property
logPoct/wat	1.203		Crippen Calculated Property
McVol	81.030	ml/mol	McGowan Calculated Property
Pc	4067.32	kPa	Joback Calculated Property
Inp	[704.00; 748.00]
Inp	704.00		NIST
Inp	704.00		NIST
Inp	704.00		NIST
Inp	704.00		NIST
Inp	748.00		NIST
Tboil	388.20	K	NIST
Tc	573.96	K	Joback Calculated Property
Tfus	199.69	K	Joback Calculated Property
Vc	0.308	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[131.55; 170.67]	J/mol×K	[381.78; 573.96]
Cp,gas	131.55	J/mol×K	381.78	Joback Calculated Property
Cp,gas	138.84	J/mol×K	413.81	Joback Calculated Property
Cp,gas	145.81	J/mol×K	445.84	Joback Calculated Property
Cp,gas	152.47	J/mol×K	477.87	Joback Calculated Property
Cp,gas	158.83	J/mol×K	509.90	Joback Calculated Property
Cp,gas	164.89	J/mol×K	541.93	Joback Calculated Property
Cp,gas	170.67	J/mol×K	573.96	Joback Calculated Property
η	[0.0003505; 0.0053672]	Pa×s	[199.69; 381.78]
η	0.0053672	Pa×s	199.69	Joback Calculated Property
η	0.0025233	Pa×s	230.04	Joback Calculated Property
η	0.0014145	Pa×s	260.39	Joback Calculated Property
η	0.0008947	Pa×s	290.74	Joback Calculated Property
η	0.0006172	Pa×s	321.08	Joback Calculated Property
η	0.0004539	Pa×s	351.43	Joback Calculated Property
η	0.0003505	Pa×s	381.78	Joback Calculated Property
ΔvapH	38.80	kJ/mol	351.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.62]	kPa	[284.40; 416.63]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.61158e+01
Coefficient B			-4.50148e+03
Temperature range, min.			284.40
Temperature range, max.			416.63
Pvap	1.33	kPa	284.40	Calculated Property
Pvap	2.90	kPa	299.09	Calculated Property
Pvap	5.87	kPa	313.78	Calculated Property
Pvap	11.15	kPa	328.48	Calculated Property
Pvap	20.05	kPa	343.17	Calculated Property
Pvap	34.36	kPa	357.86	Calculated Property
Pvap	56.43	kPa	372.55	Calculated Property
Pvap	89.25	kPa	387.25	Calculated Property
Pvap	136.51	kPa	401.94	Calculated Property
Pvap	202.62	kPa	416.63	Calculated Property

Similar Compounds

Find more compounds similar to 2-Butanone, 3-chloro-.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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.