Chemical Properties of 2,2-dichloroethyl tridecanoate

InChI

InChI=1S/C15H28Cl2O2/c1-2-3-4-5-6-7-8-9-10-11-12-15(18)19-13-14(16)17/h14H,2-13H2,1H3

InChI Key

NDWBXUPQNOFSNY-UHFFFAOYSA-N

Formula

C15H28Cl2O2

SMILES

CCCCCCCCCCCCC(=O)OCC(Cl)Cl

Molecular Weight¹

311.29

• 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	0.8310		Relay (1.0) Calculated Property
ΔfH°gas	-712.60	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	43.85	kJ/mol	Joback Calculated Property
ΔvapH°	91.27	kJ/mol	Relay (1.0) Calculated Property
IE	10.12	eV	Relay (1.0) Calculated Property
log10WS	-6.08		Relay (1.0) Calculated Property
logPoct/wat	5.644		Crippen Calculated Property
McVol	254.130	ml/mol	McGowan Calculated Property
Pc	1352.64	kPa	Joback Calculated Property
Inp	[1981.00; 1998.00]
Inp	1981.00		NIST
Inp	1993.00		NIST
Inp	1981.00		NIST
Inp	1986.00		NIST
Inp	1992.00		NIST
Inp	1998.00		NIST
Inp	1993.00		NIST
I	[2456.00; 2491.00]
I	2456.00		NIST
I	2457.00		NIST
I	2476.00		NIST
I	2479.00		NIST
I	2491.00		NIST
I	2467.00		NIST
I	2467.00		NIST
I	2456.00		NIST
Tboil	584.19	K	Relay (1.0) Calculated Property
Tc	778.12	K	Relay (1.0) Calculated Property
Tfus	287.34	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	[681.02; 766.83]	J/mol×K	[675.44; 852.36]
Cp,gas	681.02	J/mol×K	675.44	Joback Calculated Property
Cp,gas	697.31	J/mol×K	704.93	Joback Calculated Property
Cp,gas	712.77	J/mol×K	734.41	Joback Calculated Property
Cp,gas	727.44	J/mol×K	763.90	Joback Calculated Property
Cp,gas	741.33	J/mol×K	793.38	Joback Calculated Property
Cp,gas	754.45	J/mol×K	822.87	Joback Calculated Property
Cp,gas	766.83	J/mol×K	852.36	Joback Calculated Property
η	[0.0000929; 0.0031210]	Pa×s	[345.98; 675.44]
η	0.0031210	Pa×s	345.98	Joback Calculated Property
η	0.0011632	Pa×s	400.89	Joback Calculated Property
η	0.0005499	Pa×s	455.80	Joback Calculated Property
η	0.0003054	Pa×s	510.71	Joback Calculated Property
η	0.0001902	Pa×s	565.62	Joback Calculated Property
η	0.0001287	Pa×s	620.53	Joback Calculated Property
η	0.0000929	Pa×s	675.44	Joback Calculated Property

Similar Compounds

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

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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