Chemical Properties of 5-Chlorovaleric acid, nonyl ester (CAS 52893-18-2)

InChI

InChI=1S/C14H27ClO2/c1-2-3-4-5-6-7-10-13-17-14(16)11-8-9-12-15/h2-13H2,1H3

InChI Key

ZMLMYLLZBXHXHL-UHFFFAOYSA-N

Formula

C14H27ClO2

SMILES

CCCCCCCCCOC(=O)CCCCCl

Molecular Weight¹

262.82

CAS

52893-18-2

• 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_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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[332.22; 757.98]	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			2.84620e+01
Coefficient B			1.28582e+00
Coefficient C			-6.63600e-04
Coefficient D			1.07300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	332.22	J/mol×K	273.00	Calculated Property
Cp,gas	405.05	J/mol×K	353.78	Calculated Property
Cp,gas	470.71	J/mol×K	434.56	Calculated Property
Cp,gas	529.54	J/mol×K	515.33	Calculated Property
Cp,gas	581.87	J/mol×K	596.11	Calculated Property
Cp,gas	628.05	J/mol×K	676.89	Calculated Property
Cp,gas	668.41	J/mol×K	757.67	Calculated Property
Cp,gas	703.29	J/mol×K	838.44	Calculated Property
Cp,gas	733.04	J/mol×K	919.22	Calculated Property
Cp,gas	757.98	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0034473; 0.0001961]	Pa×s	[319.79; 550.10]	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			-1.25175e+01
Coefficient B			2.18972e+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.			319.79
Temperature range, max.			550.10
η	0.0034473	Pa×s	319.79	Calculated Property
η	0.0020756	Pa×s	345.38	Calculated Property
η	0.0013404	Pa×s	370.97	Calculated Property
η	0.0009158	Pa×s	396.56	Calculated Property
η	0.0006553	Pa×s	422.15	Calculated Property
η	0.0004872	Pa×s	447.74	Calculated Property
η	0.0003740	Pa×s	473.33	Calculated Property
η	0.0002950	Pa×s	498.92	Calculated Property
η	0.0002381	Pa×s	524.51	Calculated Property
η	0.0001961	Pa×s	550.10	Calculated Property

Similar Compounds

Find more compounds similar to 5-Chlorovaleric acid, nonyl ester.

Sources

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

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