Chemical Properties of Chloroacetic acid, tetradecyl ester (CAS 18277-86-6)

InChI

InChI=1S/C16H31ClO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-16(18)15-17/h2-15H2,1H3

InChI Key

INPWKHSGGJNIIM-UHFFFAOYSA-N

Formula

C16H31ClO2

SMILES

CCCCCCCCCCCCCCOC(=O)CCl

Molecular Weight¹

290.87

CAS

18277-86-6

Other Names

• Tetradecyl chloroacetate

• 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	[374.64; 861.16]	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			2.66440e+01
Coefficient B			1.47582e+00
Coefficient C			-7.72400e-04
Coefficient D			1.31100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	374.64	J/mol×K	273.00	Calculated Property
Cp,gas	457.89	J/mol×K	353.78	Calculated Property
Cp,gas	532.87	J/mol×K	434.56	Calculated Property
Cp,gas	600.00	J/mol×K	515.33	Calculated Property
Cp,gas	659.70	J/mol×K	596.11	Calculated Property
Cp,gas	712.37	J/mol×K	676.89	Calculated Property
Cp,gas	758.44	J/mol×K	757.67	Calculated Property
Cp,gas	798.32	J/mol×K	838.44	Calculated Property
Cp,gas	832.42	J/mol×K	919.22	Calculated Property
Cp,gas	861.16	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0028300; 0.0001622]	Pa×s	[342.33; 581.77]	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			-1.28141e+01
Coefficient B			2.37804e+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.			342.33
Temperature range, max.			581.77
η	0.0028300	Pa×s	342.33	Calculated Property
η	0.0017149	Pa×s	368.93	Calculated Property
η	0.0011116	Pa×s	395.54	Calculated Property
η	0.0007610	Pa×s	422.14	Calculated Property
η	0.0005449	Pa×s	448.75	Calculated Property
η	0.0004051	Pa×s	475.35	Calculated Property
η	0.0003107	Pa×s	501.96	Calculated Property
η	0.0002448	Pa×s	528.56	Calculated Property
η	0.0001973	Pa×s	555.17	Calculated Property
η	0.0001622	Pa×s	581.77	Calculated Property

Similar Compounds

Find more compounds similar to Chloroacetic acid, tetradecyl ester.

Sources

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

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