Chemical Properties of 2-ETHYLHEXANOYL CHLORIDE

InChI

InChI=1S/C8H15ClO/c1-3-5-6-7(4-2)8(9)10/h7H,3-6H2,1-2H3

InChI Key

WFSGQBNCVASPMW-UHFFFAOYSA-N

Formula

C8H15ClO

SMILES

CCCCC(CC)C(=O)Cl

Molecular Weight¹

162.66

Other Names

• 2-Ethylcaproic acid chloride
• 2-Ethylcaproyl chloride
• 2-Ethylhexanoic acid, chloride
• Hexanoyl chloride, 2-ethyl-

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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_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.

Physical Properties

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[189.21; 429.88]	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			1.41840e+01
Coefficient B			7.48540e-01
Coefficient C			-4.16300e-04
Coefficient D			8.34600e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	189.21	J/mol×K	273.00	Calculated Property
Cp,gas	230.59	J/mol×K	353.78	Calculated Property
Cp,gas	267.70	J/mol×K	434.56	Calculated Property
Cp,gas	300.80	J/mol×K	515.33	Calculated Property
Cp,gas	330.14	J/mol×K	596.11	Calculated Property
Cp,gas	356.01	J/mol×K	676.89	Calculated Property
Cp,gas	378.65	J/mol×K	757.67	Calculated Property
Cp,gas	398.33	J/mol×K	838.44	Calculated Property
Cp,gas	415.32	J/mol×K	919.22	Calculated Property
Cp,gas	429.88	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0010467; 0.0003258]	Pa×s	[340.65; 461.41]	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			-1.13213e+01
Coefficient B			1.51905e+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.			340.65
Temperature range, max.			461.41
η	0.0010467	Pa×s	340.65	Calculated Property
η	0.0008840	Pa×s	354.07	Calculated Property
η	0.0007558	Pa×s	367.49	Calculated Property
η	0.0006534	Pa×s	380.90	Calculated Property
η	0.0005705	Pa×s	394.32	Calculated Property
η	0.0005026	Pa×s	407.74	Calculated Property
η	0.0004463	Pa×s	421.16	Calculated Property
η	0.0003993	Pa×s	434.58	Calculated Property
η	0.0003596	Pa×s	448.00	Calculated Property
η	0.0003258	Pa×s	461.41	Calculated Property

Similar Compounds

Find more compounds similar to 2-ETHYLHEXANOYL CHLORIDE.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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