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

InChI

InChI=1S/C11H19Cl3O2/c1-2-3-4-5-6-7-8-10(15)16-9-11(12,13)14/h2-9H2,1H3

InChI Key

UNSPRHCUPSMXLE-UHFFFAOYSA-N

Formula

C11H19Cl3O2

SMILES

CCCCCCCCC(=O)OCC(Cl)(Cl)Cl

Molecular Weight¹

289.63

Other Names

• 2,2,2-Trichloroethyl nonanoate

• 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	0.6561		Relay (1.0) Calculated Property
ΔfH°gas	-627.11	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	33.79	kJ/mol	Joback Calculated Property
ΔvapH°	73.63	kJ/mol	Relay (1.0) Calculated Property
IE	10.28	eV	Relay (1.0) Calculated Property
log10WS	-5.36		Relay (1.0) Calculated Property
logPoct/wat	4.650		Crippen Calculated Property
McVol	210.010	ml/mol	McGowan Calculated Property
Pc	1793.94	kPa	Joback Calculated Property
Inp	[1660.00; 1694.00]
Inp	1679.00		NIST
Inp	1676.00		NIST
Inp	1678.00		NIST
Inp	1674.00		NIST
Inp	1675.00		NIST
Inp	1660.00		NIST
Inp	1694.00		NIST
Inp	1678.00		NIST
Inp	1679.00		NIST
Inp	1660.00		NIST
Inp	1694.00		NIST
I	[2026.00; 2090.00]
I	2039.00		NIST
I	2026.00		NIST
I	2090.00		NIST
I	2026.00		NIST
I	2045.00		NIST
I	2040.00		NIST
I	2065.00		NIST
I	2058.00		NIST
I	2090.00		NIST
I	2039.00		NIST
Tboil	550.21	K	Relay (1.0) Calculated Property
Tc	744.16	K	Relay (1.0) Calculated Property
Tfus	289.97	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	[503.21; 574.16]	J/mol×K	[618.56; 810.17]
Cp,gas	503.21	J/mol×K	618.56	Joback Calculated Property
Cp,gas	516.96	J/mol×K	650.50	Joback Calculated Property
Cp,gas	529.89	J/mol×K	682.43	Joback Calculated Property
Cp,gas	542.05	J/mol×K	714.37	Joback Calculated Property
Cp,gas	553.46	J/mol×K	746.30	Joback Calculated Property
Cp,gas	564.15	J/mol×K	778.24	Joback Calculated Property
Cp,gas	574.16	J/mol×K	810.17	Joback Calculated Property
η	[0.0001338; 0.0030459]	Pa×s	[348.24; 618.56]
η	0.0030459	Pa×s	348.24	Joback Calculated Property
η	0.0013426	Pa×s	393.29	Joback Calculated Property
η	0.0007003	Pa×s	438.35	Joback Calculated Property
η	0.0004124	Pa×s	483.40	Joback Calculated Property
η	0.0002658	Pa×s	528.45	Joback Calculated Property
η	0.0001836	Pa×s	573.51	Joback Calculated Property
η	0.0001338	Pa×s	618.56	Joback Calculated Property

Similar Compounds

Find more compounds similar to Nonanoic 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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