Chemical Properties of 2,2-dichloroethyl heptadecanoate

InChI

InChI=1S/C19H36Cl2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19(22)23-17-18(20)21/h18H,2-17H2,1H3

InChI Key

ZETLRULNQVZDBY-UHFFFAOYSA-N

Formula

C19H36Cl2O2

SMILES

CCCCCCCCCCCCCCCCC(=O)OCC(Cl)Cl

Molecular Weight¹

367.40

• 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	0.9728		Relay (1.0) Calculated Property
ΔfH°gas	-796.56	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	54.21	kJ/mol	Joback Calculated Property
ΔvapH°	108.25	kJ/mol	Relay (1.0) Calculated Property
IE	10.20	eV	Relay (1.0) Calculated Property
log10WS	-7.41		Relay (1.0) Calculated Property
logPoct/wat	7.205		Crippen Calculated Property
McVol	310.490	ml/mol	McGowan Calculated Property
Pc	1038.57	kPa	Joback Calculated Property
Inp	[2395.00; 2405.00]
Inp	2395.00		NIST
Inp	2402.00		NIST
Inp	2405.00		NIST
Inp	2405.00		NIST
Inp	2395.00		NIST
I	[2868.00; 2895.00]
I	2868.00		NIST
I	2884.00		NIST
I	2887.00		NIST
I	2895.00		NIST
I	2888.00		NIST
I	2868.00		NIST
Tboil	612.40	K	Relay (1.0) Calculated Property
Tc	810.94	K	Relay (1.0) Calculated Property
Tfus	305.39	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	[910.20; 1003.09]	J/mol×K	[766.96; 946.48]
Cp,gas	910.20	J/mol×K	766.96	Joback Calculated Property
Cp,gas	928.01	J/mol×K	796.88	Joback Calculated Property
Cp,gas	944.84	J/mol×K	826.80	Joback Calculated Property
Cp,gas	960.74	J/mol×K	856.72	Joback Calculated Property
Cp,gas	975.73	J/mol×K	886.64	Joback Calculated Property
Cp,gas	989.84	J/mol×K	916.56	Joback Calculated Property
Cp,gas	1003.09	J/mol×K	946.48	Joback Calculated Property
η	[0.0000520; 0.0018972]	Pa×s	[391.06; 766.96]
η	0.0018972	Pa×s	391.06	Joback Calculated Property
η	0.0006887	Pa×s	453.71	Joback Calculated Property
η	0.0003197	Pa×s	516.36	Joback Calculated Property
η	0.0001752	Pa×s	579.01	Joback Calculated Property
η	0.0001080	Pa×s	641.66	Joback Calculated Property
η	0.0000726	Pa×s	704.31	Joback Calculated Property
η	0.0000520	Pa×s	766.96	Joback Calculated Property

Similar Compounds

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

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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