Chemical Properties of 2,2-dichloroethyl nonanoate

InChI

InChI=1S/C11H20Cl2O2/c1-2-3-4-5-6-7-8-11(14)15-9-10(12)13/h10H,2-9H2,1H3

InChI Key

WKLDMJFPAZAOPJ-UHFFFAOYSA-N

Formula

C11H20Cl2O2

SMILES

CCCCCCCCC(=O)OCC(Cl)Cl

Molecular Weight¹

255.18

• 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	0.6877		Relay (1.0) Calculated Property
ΔfH°gas	-628.12	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	33.49	kJ/mol	Joback Calculated Property
ΔvapH°	73.75	kJ/mol	Relay (1.0) Calculated Property
IE	10.15	eV	Relay (1.0) Calculated Property
log10WS	-4.60		Relay (1.0) Calculated Property
logPoct/wat	4.084		Crippen Calculated Property
McVol	197.770	ml/mol	McGowan Calculated Property
Pc	1834.11	kPa	Joback Calculated Property
Inp	[1577.00; 1600.00]
Inp	1577.00		NIST
Inp	1583.00		NIST
Inp	1586.00		NIST
Inp	1587.00		NIST
Inp	Outlier 1600.00		NIST
Inp	1588.00		NIST
Inp	1577.00		NIST
Inp	1588.00		NIST
I	[2046.00; 2100.00]
I	2046.00		NIST
I	2061.00		NIST
I	2055.00		NIST
I	2078.00		NIST
I	2072.00		NIST
I	2100.00		NIST
I	2056.00		NIST
I	2046.00		NIST
I	2100.00		NIST
Tboil	544.31	K	Relay (1.0) Calculated Property
Tc	733.32	K	Relay (1.0) Calculated Property
Tfus	260.22	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	[471.50; 547.00]	J/mol×K	[583.92; 765.17]
Cp,gas	471.50	J/mol×K	583.92	Joback Calculated Property
Cp,gas	485.75	J/mol×K	614.13	Joback Calculated Property
Cp,gas	499.33	J/mol×K	644.34	Joback Calculated Property
Cp,gas	512.22	J/mol×K	674.55	Joback Calculated Property
Cp,gas	524.46	J/mol×K	704.76	Joback Calculated Property
Cp,gas	536.05	J/mol×K	734.96	Joback Calculated Property
Cp,gas	547.00	J/mol×K	765.17	Joback Calculated Property
η	[0.0001579; 0.0047743]	Pa×s	[300.90; 583.92]
η	0.0047743	Pa×s	300.90	Joback Calculated Property
η	0.0018406	Pa×s	348.07	Joback Calculated Property
η	0.0008908	Pa×s	395.24	Joback Calculated Property
η	0.0005033	Pa×s	442.41	Joback Calculated Property
η	0.0003175	Pa×s	489.58	Joback Calculated Property
η	0.0002171	Pa×s	536.75	Joback Calculated Property
η	0.0001579	Pa×s	583.92	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2,2-dichloroethyl nonanoate.

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.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.
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