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

• 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°	-158.05	kJ/mol	Joback Calculated Property
ΔfH°gas	-254.21	kJ/mol	Joback Calculated Property
ΔfusH°	11.91	kJ/mol	Joback Calculated Property
ΔvapH°	35.63	kJ/mol	Joback Calculated Property
log10WS	-0.93		Crippen 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
Tboil	382.22	K	Joback Calculated Property
Tc	569.79	K	Joback Calculated Property
Tfus	214.69	K	Joback Calculated Property
Vc	0.315	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[131.57; 169.37]	J/mol×K	[382.22; 569.79]
Cp,gas	131.57	J/mol×K	382.22	Joback Calculated Property
Cp,gas	138.59	J/mol×K	413.48	Joback Calculated Property
Cp,gas	145.30	J/mol×K	444.74	Joback Calculated Property
Cp,gas	151.74	J/mol×K	476.01	Joback Calculated Property
Cp,gas	157.89	J/mol×K	507.27	Joback Calculated Property
Cp,gas	163.76	J/mol×K	538.53	Joback Calculated Property
Cp,gas	169.37	J/mol×K	569.79	Joback Calculated Property
η	[0.0003618; 0.0034502]	Pa×s	[214.69; 382.22]
η	0.0034502	Pa×s	214.69	Joback Calculated Property
η	0.0019085	Pa×s	242.61	Joback Calculated Property
η	0.0011929	Pa×s	270.53	Joback Calculated Property
η	0.0008142	Pa×s	298.46	Joback Calculated Property
η	0.0005932	Pa×s	326.38	Joback Calculated Property
η	0.0004543	Pa×s	354.30	Joback Calculated Property
η	0.0003618	Pa×s	382.22	Joback Calculated Property
ΔvapH	49.20	kJ/mol	359.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.24; 202.62]	kPa	[307.00; 412.56]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
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

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

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