Chemical Properties of Fumaric acid, 2,2-dichloroethyl undecyl ester

InChI

InChI=1S/C17H28Cl2O4/c1-2-3-4-5-6-7-8-9-10-13-22-16(20)11-12-17(21)23-14-15(18)19/h11-12,15H,2-10,13-14H2,1H3/b12-11+

InChI Key

QRWWZUHTBJNFPP-VAWYXSNFSA-N

Formula

C17H28Cl2O4

SMILES

CCCCCCCCCCCOC(=O)C=CC(=O)OCC(Cl)Cl

Molecular Weight¹

367.31

• 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).
• 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.
• 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
ΔfH°gas	-948.09	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	50.43	kJ/mol	Joback Calculated Property
ΔvapH°	103.20	kJ/mol	Relay (1.0) Calculated Property
log10WS	-6.30		Relay (1.0) Calculated Property
logPoct/wat	4.963		Crippen Calculated Property
McVol	285.450	ml/mol	McGowan Calculated Property
Pc	1301.41	kPa	Joback Calculated Property
Inp	[2434.00; 2434.00]
Inp	2434.00		NIST
Inp	2434.00		NIST
Tboil	613.31	K	Relay (1.0) Calculated Property
Tc	802.85	K	Relay (1.0) Calculated Property
Tfus	314.79	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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	[826.51; 901.99]	J/mol×K	[819.52; 1012.86]
Cp,gas	826.51	J/mol×K	819.52	Joback Calculated Property
Cp,gas	841.29	J/mol×K	851.74	Joback Calculated Property
Cp,gas	855.16	J/mol×K	883.97	Joback Calculated Property
Cp,gas	868.14	J/mol×K	916.19	Joback Calculated Property
Cp,gas	880.26	J/mol×K	948.41	Joback Calculated Property
Cp,gas	891.53	J/mol×K	980.64	Joback Calculated Property
Cp,gas	901.99	J/mol×K	1012.86	Joback Calculated Property
η	[0.0000485; 0.0007883]	Pa×s	[465.43; 819.52]
η	0.0007883	Pa×s	465.43	Joback Calculated Property
η	0.0003813	Pa×s	524.45	Joback Calculated Property
η	0.0002136	Pa×s	583.46	Joback Calculated Property
η	0.0001331	Pa×s	642.47	Joback Calculated Property
η	0.0000898	Pa×s	701.49	Joback Calculated Property
η	0.0000644	Pa×s	760.50	Joback Calculated Property
η	0.0000485	Pa×s	819.52	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, 2,2-dichloroethyl undecyl ester.

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.