Chemical Properties of 2-Butanone, 1-chloro- (CAS 616-27-3)

InChI

InChI=1S/C4H7ClO/c1-2-4(6)3-5/h2-3H2,1H3

InChI Key

AALRHBLMAVGWRR-UHFFFAOYSA-N

Formula

C4H7ClO

SMILES

CCC(=O)CCl

Molecular Weight¹

106.55

CAS

616-27-3

Other Names

• 1-Chloro-2-butanone
• 1-chlorobutan-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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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_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	0.3307		Relay (1.0) Calculated Property
ΔfG°	-158.05	kJ/mol	Joback Calculated Property
ΔfH°gas	-274.80	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	11.91	kJ/mol	Joback Calculated Property
ΔvapH°	38.18	kJ/mol	Relay (1.0) Calculated Property
IE	9.69	eV	Relay (1.0) Calculated Property
log10WS	-0.72		Relay (1.0) Calculated Property
logPoct/wat	1.204		Crippen Calculated Property
McVol	81.030	ml/mol	McGowan Calculated Property
Pc	4026.13	kPa	Joback Calculated Property
Inp	[753.00; 758.00]
Inp	753.00		NIST
Inp	756.00		NIST
Inp	757.00		NIST
Inp	758.00		NIST
Inp	753.00		NIST
Tboil	407.49	K	Relay (1.0) Calculated Property
Tc	607.12	K	Relay (1.0) Calculated Property
Tfus	289.03	K	Relay (1.0) Calculated Property
Vc	0.297	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[104.67; 222.98]	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			1.95020e+01
Coefficient B			3.62620e-01
Coefficient C			-1.95500e-04
Coefficient D			3.63600e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	104.67	J/mol×K	273.00	Calculated Property
Cp,gas	124.93	J/mol×K	353.78	Calculated Property
Cp,gas	143.15	J/mol×K	434.56	Calculated Property
Cp,gas	159.43	J/mol×K	515.33	Calculated Property
Cp,gas	173.90	J/mol×K	596.11	Calculated Property
Cp,gas	186.66	J/mol×K	676.89	Calculated Property
Cp,gas	197.83	J/mol×K	757.67	Calculated Property
Cp,gas	207.54	J/mol×K	838.44	Calculated Property
Cp,gas	215.88	J/mol×K	919.22	Calculated Property
Cp,gas	222.98	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0034502; 0.0003202]	Pa×s	[214.69; 399.06]	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			-1.08144e+01
Coefficient B			1.10459e+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.			214.69
Temperature range, max.			399.06
η	0.0034502	Pa×s	214.69	Calculated Property
η	0.0022040	Pa×s	235.18	Calculated Property
η	0.0015127	Pa×s	255.66	Calculated Property
η	0.0010979	Pa×s	276.15	Calculated Property
η	0.0008329	Pa×s	296.63	Calculated Property
η	0.0006548	Pa×s	317.12	Calculated Property
η	0.0005301	Pa×s	337.61	Calculated Property
η	0.0004396	Pa×s	358.09	Calculated Property
η	0.0003720	Pa×s	378.58	Calculated Property
η	0.0003202	Pa×s	399.06	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.24; 202.62]	kPa	[307.00; 412.56]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.40701e+01
Coefficient B			-2.51367e+03
Coefficient C			-1.25570e+02
Temperature range, min.			307.00
Temperature range, max.			412.56
Pvap	1.24	kPa	307.00	Calculated Property
Pvap	2.88	kPa	318.73	Calculated Property
Pvap	6.06	kPa	330.46	Calculated Property
Pvap	11.77	kPa	342.19	Calculated Property
Pvap	21.37	kPa	353.92	Calculated Property
Pvap	36.59	kPa	365.64	Calculated Property
Pvap	59.59	kPa	377.37	Calculated Property
Pvap	92.92	kPa	389.10	Calculated Property
Pvap	139.51	kPa	400.83	Calculated Property
Pvap	202.62	kPa	412.56	Calculated Property

Similar Compounds

Find more compounds similar to 2-Butanone, 1-chloro-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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