Chemical Properties of Dichloroacetic acid, tetradecyl ester (CAS 83005-02-1)

InChI

InChI=1S/C16H30Cl2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20-16(19)15(17)18/h15H,2-14H2,1H3

InChI Key

JFGNOMDHPRPBJP-UHFFFAOYSA-N

Formula

C16H30Cl2O2

SMILES

CCCCCCCCCCCCCCOC(=O)C(Cl)Cl

Molecular Weight¹

325.31

CAS

83005-02-1

Other Names

• Tetradecyl dichloroacetate

• 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

Property	Value	Unit	Source
ω	0.8595		Relay (1.0) Calculated Property
ΔfH°gas	-722.10	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	46.44	kJ/mol	Joback Calculated Property
ΔvapH°	93.59	kJ/mol	Relay (1.0) Calculated Property
IE	10.25	eV	Relay (1.0) Calculated Property
log10WS	-6.56		Relay (1.0) Calculated Property
logPoct/wat	6.034		Crippen Calculated Property
McVol	268.220	ml/mol	McGowan Calculated Property
Pc	1261.95	kPa	Joback Calculated Property
Inp	[2085.30; 2085.30]
Inp	2085.30		NIST
Inp	2085.30		NIST
Tboil	581.96	K	Relay (1.0) Calculated Property
Tc	787.61	K	Relay (1.0) Calculated Property
Tfus	294.43	K	Relay (1.0) Calculated Property
Vc	1.022	m3/kmol	Relay (1.0) Calculated Property

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	[387.73; 869.97]	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			3.78530e+01
Coefficient B			1.48852e+00
Coefficient C			-7.96000e-04
Coefficient D			1.39600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	387.73	J/mol×K	273.00	Calculated Property
Cp,gas	471.01	J/mol×K	353.78	Calculated Property
Cp,gas	545.84	J/mol×K	434.56	Calculated Property
Cp,gas	612.65	J/mol×K	515.33	Calculated Property
Cp,gas	671.89	J/mol×K	596.11	Calculated Property
Cp,gas	724.00	J/mol×K	676.89	Calculated Property
Cp,gas	769.42	J/mol×K	757.67	Calculated Property
Cp,gas	808.60	J/mol×K	838.44	Calculated Property
Cp,gas	841.97	J/mol×K	919.22	Calculated Property
Cp,gas	869.97	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0027718; 0.0001355]	Pa×s	[357.25; 612.57]	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			-1.31302e+01
Coefficient B			2.58718e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			357.25
Temperature range, max.			612.57
η	0.0027718	Pa×s	357.25	Calculated Property
η	0.0016270	Pa×s	385.62	Calculated Property
η	0.0010273	Pa×s	413.99	Calculated Property
η	0.0006881	Pa×s	442.36	Calculated Property
η	0.0004837	Pa×s	470.73	Calculated Property
η	0.0003539	Pa×s	499.10	Calculated Property
η	0.0002678	Pa×s	527.47	Calculated Property
η	0.0002085	Pa×s	555.84	Calculated Property
η	0.0001663	Pa×s	584.21	Calculated Property
η	0.0001355	Pa×s	612.57	Calculated Property

Similar Compounds

Find more compounds similar to Dichloroacetic acid, tetradecyl ester.

Sources

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

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