Chemical Properties of 2-Hexanone, 1-chloro

InChI

InChI=1S/C6H11ClO/c1-2-3-4-6(8)5-7/h2-5H2,1H3

InChI Key

FVXNLWRKEVZHKO-UHFFFAOYSA-N

Formula

C6H11ClO

SMILES

CCCCC(=O)CCl

Molecular Weight¹

134.60

• 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).
• 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	0.4197		Relay (1.0) Calculated Property
ΔfG°	-141.21	kJ/mol	Joback Calculated Property
ΔfH°gas	-324.98	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	17.09	kJ/mol	Joback Calculated Property
ΔvapH°	45.68	kJ/mol	Relay (1.0) Calculated Property
IE	9.69	eV	Relay (1.0) Calculated Property
log10WS	-1.89		Relay (1.0) Calculated Property
logPoct/wat	1.985		Crippen Calculated Property
McVol	109.210	ml/mol	McGowan Calculated Property
Pc	3199.16	kPa	Joback Calculated Property
Inp	[943.00; 943.00]
Inp	943.00		NIST
Inp	943.00		NIST
Tboil	443.91	K	Relay (1.0) Calculated Property
Tc	638.81	K	Relay (1.0) Calculated Property
Tfus	290.24	K	Relay (1.0) Calculated Property
Vc	0.402	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[147.09; 326.16]	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			1.76840e+01
Coefficient B			5.52620e-01
Coefficient C			-3.04300e-04
Coefficient D			6.01600e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	147.09	J/mol×K	273.00	Calculated Property
Cp,gas	177.77	J/mol×K	353.78	Calculated Property
Cp,gas	205.30	J/mol×K	434.56	Calculated Property
Cp,gas	229.89	J/mol×K	515.33	Calculated Property
Cp,gas	251.72	J/mol×K	596.11	Calculated Property
Cp,gas	270.98	J/mol×K	676.89	Calculated Property
Cp,gas	287.87	J/mol×K	757.67	Calculated Property
Cp,gas	302.56	J/mol×K	838.44	Calculated Property
Cp,gas	315.27	J/mol×K	919.22	Calculated Property
Cp,gas	326.16	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0039715; 0.0003469]	Pa×s	[237.23; 429.24]	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			-1.09786e+01
Coefficient B			1.29291e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			237.23
Temperature range, max.			429.24
η	0.0039715	Pa×s	237.23	Calculated Property
η	0.0025331	Pa×s	258.56	Calculated Property
η	0.0017303	Pa×s	279.90	Calculated Property
η	0.0012475	Pa×s	301.23	Calculated Property
η	0.0009392	Pa×s	322.57	Calculated Property
η	0.0007324	Pa×s	343.90	Calculated Property
η	0.0005880	Pa×s	365.24	Calculated Property
η	0.0004837	Pa×s	386.57	Calculated Property
η	0.0004060	Pa×s	407.91	Calculated Property
η	0.0003469	Pa×s	429.24	Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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