Chemical Properties of OCTANOIC ACID, 8-CHLORO-8-OXO-, ETHYL ESTER

InChI

InChI=1S/C10H17ClO3/c1-2-14-10(13)8-6-4-3-5-7-9(11)12/h2-8H2,1H3

InChI Key

ZKXJSBHGOFAICL-UHFFFAOYSA-N

Formula

C10H17ClO3

SMILES

CCOC(=O)CCCCCCC(=O)Cl

Molecular Weight¹

220.70

Other Names

• Ethyl 8-chloro-8-oxooctanoate
• ethyl 7-chloro-7-formylheptanoate

• 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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[248.29; 540.64]	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			3.94570e+01
Coefficient B			8.77820e-01
Coefficient C			-4.27300e-04
Coefficient D			5.06600e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	248.29	J/mol×K	273.00	Calculated Property
Cp,gas	298.77	J/mol×K	353.78	Calculated Property
Cp,gas	344.39	J/mol×K	434.56	Calculated Property
Cp,gas	385.28	J/mol×K	515.33	Calculated Property
Cp,gas	421.63	J/mol×K	596.11	Calculated Property
Cp,gas	453.58	J/mol×K	676.89	Calculated Property
Cp,gas	481.29	J/mol×K	757.67	Calculated Property
Cp,gas	504.93	J/mol×K	838.44	Calculated Property
Cp,gas	524.66	J/mol×K	919.22	Calculated Property
Cp,gas	540.64	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0033327; 0.0002798]	Pa×s	[324.64; 532.68]	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			-1.20472e+01
Coefficient B			2.05927e+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.			324.64
Temperature range, max.			532.68
η	0.0033327	Pa×s	324.64	Calculated Property
η	0.0021861	Pa×s	347.76	Calculated Property
η	0.0015114	Pa×s	370.87	Calculated Property
η	0.0010912	Pa×s	393.99	Calculated Property
η	0.0008168	Pa×s	417.10	Calculated Property
η	0.0006303	Pa×s	440.22	Calculated Property
η	0.0004991	Pa×s	463.34	Calculated Property
η	0.0004041	Pa×s	486.45	Calculated Property
η	0.0003335	Pa×s	509.57	Calculated Property
η	0.0002798	Pa×s	532.68	Calculated Property

Similar Compounds

Find more compounds similar to OCTANOIC ACID, 8-CHLORO-8-OXO-, ETHYL ESTER.

Sources

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

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