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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[736.69; 824.44]	J/mol×K	[698.32; 875.11]
Cp,gas	736.69	J/mol×K	698.32	Joback Calculated Property
Cp,gas	753.37	J/mol×K	727.78	Joback Calculated Property
Cp,gas	769.20	J/mol×K	757.25	Joback Calculated Property
Cp,gas	784.21	J/mol×K	786.71	Joback Calculated Property
Cp,gas	798.40	J/mol×K	816.18	Joback Calculated Property
Cp,gas	811.80	J/mol×K	845.64	Joback Calculated Property
Cp,gas	824.44	J/mol×K	875.11	Joback Calculated Property
η	[0.0000807; 0.0027718]	Pa×s	[357.25; 698.32]
η	0.0027718	Pa×s	357.25	Joback Calculated Property
η	0.0010257	Pa×s	414.09	Joback Calculated Property
η	0.0004825	Pa×s	470.94	Joback Calculated Property
η	0.0002670	Pa×s	527.78	Joback Calculated Property
η	0.0001658	Pa×s	584.63	Joback Calculated Property
η	0.0001120	Pa×s	641.47	Joback Calculated Property
η	0.0000807	Pa×s	698.32	Joback 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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