Chemical Properties of 2,2-dichloroethyl pentadecanoate

InChI

InChI=1S/C17H32Cl2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(20)21-15-16(18)19/h16H,2-15H2,1H3

InChI Key

OJAFDGARFLKHJC-UHFFFAOYSA-N

Formula

C17H32Cl2O2

SMILES

CCCCCCCCCCCCCCC(=O)OCC(Cl)Cl

Molecular Weight¹

339.35

• 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	0.9021		Relay (1.0) Calculated Property
ΔfH°gas	-754.45	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	49.03	kJ/mol	Joback Calculated Property
ΔvapH°	99.82	kJ/mol	Relay (1.0) Calculated Property
IE	10.15	eV	Relay (1.0) Calculated Property
log10WS	-6.75		Relay (1.0) Calculated Property
logPoct/wat	6.425		Crippen Calculated Property
McVol	282.310	ml/mol	McGowan Calculated Property
Pc	1180.09	kPa	Joback Calculated Property
Inp	[2184.00; 2197.00]
Inp	2184.00		NIST
Inp	2193.00		NIST
Inp	2197.00		NIST
Inp	2197.00		NIST
Inp	2184.00		NIST
I	[2659.00; 2692.00]
I	2659.00		NIST
I	2663.00		NIST
I	2680.00		NIST
I	2682.00		NIST
I	2692.00		NIST
I	2679.00		NIST
I	2679.00		NIST
I	2659.00		NIST
Tboil	598.61	K	Relay (1.0) Calculated Property
Tc	795.49	K	Relay (1.0) Calculated Property
Tfus	297.58	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	[793.49; 883.03]	J/mol×K	[721.20; 898.34]
Cp,gas	793.49	J/mol×K	721.20	Joback Calculated Property
Cp,gas	810.56	J/mol×K	750.72	Joback Calculated Property
Cp,gas	826.73	J/mol×K	780.25	Joback Calculated Property
Cp,gas	842.05	J/mol×K	809.77	Joback Calculated Property
Cp,gas	856.52	J/mol×K	839.30	Joback Calculated Property
Cp,gas	870.17	J/mol×K	868.82	Joback Calculated Property
Cp,gas	883.03	J/mol×K	898.34	Joback Calculated Property
η	[0.0000699; 0.0024516]	Pa×s	[368.52; 721.20]
η	0.0024516	Pa×s	368.52	Joback Calculated Property
η	0.0009011	Pa×s	427.30	Joback Calculated Property
η	0.0004219	Pa×s	486.08	Joback Calculated Property
η	0.0002327	Pa×s	544.86	Joback Calculated Property
η	0.0001441	Pa×s	603.64	Joback Calculated Property
η	0.0000972	Pa×s	662.42	Joback Calculated Property
η	0.0000699	Pa×s	721.20	Joback Calculated Property

Similar Compounds

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

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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