Chemical Properties of Dodecanoic acid, 2,2,2-trichloroethyl ester

InChI

InChI=1S/C14H25Cl3O2/c1-2-3-4-5-6-7-8-9-10-11-13(18)19-12-14(15,16)17/h2-12H2,1H3

InChI Key

DZEDAIOKGLWUJP-UHFFFAOYSA-N

Formula

C14H25Cl3O2

SMILES

CCCCCCCCCCCC(=O)OCC(Cl)(Cl)Cl

Molecular Weight¹

331.71

Other Names

• 2,2,2-Trichloroethyl dodecanoate

• 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	0.7689		Relay (1.0) Calculated Property
ΔfH°gas	-691.94	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	41.56	kJ/mol	Joback Calculated Property
ΔvapH°	86.40	kJ/mol	Relay (1.0) Calculated Property
IE	10.23	eV	Relay (1.0) Calculated Property
log10WS	-6.52		Relay (1.0) Calculated Property
logPoct/wat	5.821		Crippen Calculated Property
McVol	252.280	ml/mol	McGowan Calculated Property
Pc	1425.07	kPa	Joback Calculated Property
Inp	[1974.00; 2014.00]
Inp	1976.00		NIST
Inp	1977.00		NIST
Inp	1977.00		NIST
Inp	1974.00		NIST
Inp	Outlier 2014.00		NIST
Inp	1977.00		NIST
I	[2326.00; 2386.00]
I	2326.00		NIST
I	2337.00		NIST
I	2338.00		NIST
I	2360.00		NIST
I	2365.00		NIST
I	2386.00		NIST
I	2349.00		NIST
Tboil	578.86	K	Relay (1.0) Calculated Property
Tc	777.93	K	Relay (1.0) Calculated Property
Tfus	303.63	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	[659.40; 737.69]	J/mol×K	[687.20; 873.79]
Cp,gas	659.40	J/mol×K	687.20	Joback Calculated Property
Cp,gas	674.51	J/mol×K	718.30	Joback Calculated Property
Cp,gas	688.75	J/mol×K	749.40	Joback Calculated Property
Cp,gas	702.15	J/mol×K	780.49	Joback Calculated Property
Cp,gas	714.75	J/mol×K	811.59	Joback Calculated Property
Cp,gas	726.58	J/mol×K	842.69	Joback Calculated Property
Cp,gas	737.69	J/mol×K	873.79	Joback Calculated Property
η	[0.0000851; 0.0021361]	Pa×s	[382.05; 687.20]
η	0.0021361	Pa×s	382.05	Joback Calculated Property
η	0.0009106	Pa×s	432.91	Joback Calculated Property
η	0.0004644	Pa×s	483.77	Joback Calculated Property
η	0.0002692	Pa×s	534.62	Joback Calculated Property
η	0.0001715	Pa×s	585.48	Joback Calculated Property
η	0.0001175	Pa×s	636.34	Joback Calculated Property
η	0.0000851	Pa×s	687.20	Joback Calculated Property

Similar Compounds

Find more compounds similar to Dodecanoic acid, 2,2,2-trichloroethyl ester.

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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