Chemical Properties of 2,2-dichloroethyl decanoate

InChI

InChI=1S/C12H22Cl2O2/c1-2-3-4-5-6-7-8-9-12(15)16-10-11(13)14/h11H,2-10H2,1H3

InChI Key

YEHFATMMUDFRCP-UHFFFAOYSA-N

Formula

C12H22Cl2O2

SMILES

CCCCCCCCCC(=O)OCC(Cl)Cl

Molecular Weight¹

269.21

• 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	0.7237		Relay (1.0) Calculated Property
ΔfH°gas	-649.32	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	36.08	kJ/mol	Joback Calculated Property
ΔvapH°	78.16	kJ/mol	Relay (1.0) Calculated Property
IE	10.13	eV	Relay (1.0) Calculated Property
log10WS	-5.02		Relay (1.0) Calculated Property
logPoct/wat	4.474		Crippen Calculated Property
McVol	211.860	ml/mol	McGowan Calculated Property
Pc	1692.12	kPa	Joback Calculated Property
Inp	[1678.00; 1701.00]
Inp	1689.00		NIST
Inp	1678.00		NIST
Inp	1681.00		NIST
Inp	1685.00		NIST
Inp	1690.00		NIST
Inp	Outlier 1701.00		NIST
Inp	1689.00		NIST
Inp	1678.00		NIST
I	[2146.00; 2197.00]
I	2146.00		NIST
I	2197.00		NIST
I	2146.00		NIST
I	2158.00		NIST
I	2157.00		NIST
I	2175.00		NIST
I	2197.00		NIST
I	2158.00		NIST
I	2158.00		NIST
Tboil	556.17	K	Relay (1.0) Calculated Property
Tc	745.66	K	Relay (1.0) Calculated Property
Tfus	268.28	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	[521.72; 600.31]	J/mol×K	[606.80; 786.50]
Cp,gas	521.72	J/mol×K	606.80	Joback Calculated Property
Cp,gas	536.58	J/mol×K	636.75	Joback Calculated Property
Cp,gas	550.71	J/mol×K	666.70	Joback Calculated Property
Cp,gas	564.13	J/mol×K	696.65	Joback Calculated Property
Cp,gas	576.87	J/mol×K	726.60	Joback Calculated Property
Cp,gas	588.92	J/mol×K	756.55	Joback Calculated Property
Cp,gas	600.31	J/mol×K	786.50	Joback Calculated Property
η	[0.0001391; 0.0043295]	Pa×s	[312.17; 606.80]
η	0.0043295	Pa×s	312.17	Joback Calculated Property
η	0.0016536	Pa×s	361.27	Joback Calculated Property
η	0.0007952	Pa×s	410.38	Joback Calculated Property
η	0.0004472	Pa×s	459.49	Joback Calculated Property
η	0.0002810	Pa×s	508.59	Joback Calculated Property
η	0.0001917	Pa×s	557.69	Joback Calculated Property
η	0.0001391	Pa×s	606.80	Joback Calculated Property

Similar Compounds

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

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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