Chemical Properties of 2,2-dichloroethyl tetradecanoate

InChI

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

InChI Key

KRXOLTOZVXFYRG-UHFFFAOYSA-N

Formula

C16H30Cl2O2

SMILES

CCCCCCCCCCCCCC(=O)OCC(Cl)Cl

Molecular Weight¹

325.31

• 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.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.8666		Relay (1.0) Calculated Property
ΔfH°gas	-733.53	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	46.44	kJ/mol	Joback Calculated Property
ΔvapH°	95.57	kJ/mol	Relay (1.0) Calculated Property
IE	10.13	eV	Relay (1.0) Calculated Property
log10WS	-6.42		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	[2082.00; 2095.00]
Inp	2095.00		NIST
Inp	2082.00		NIST
Inp	2092.00		NIST
Inp	2095.00		NIST
Inp	2082.00		NIST
I	[2558.00; 2590.00]
I	2558.00		NIST
I	2560.00		NIST
I	2579.00		NIST
I	2581.00		NIST
I	2590.00		NIST
I	2573.00		NIST
I	2573.00		NIST
I	2558.00		NIST
Tboil	591.47	K	Relay (1.0) Calculated Property
Tc	787.12	K	Relay (1.0) Calculated Property
Tfus	292.67	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them 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 2,2-dichloroethyl tetradecanoate.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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