Chemical Properties of Succinic acid, ethyl 2,3,6-trifluorobenzyl ester

InChI

InChI=1S/C13H13F3O4/c1-2-19-11(17)5-6-12(18)20-7-8-9(14)3-4-10(15)13(8)16/h3-4H,2,5-7H2,1H3

InChI Key

MAHVDTPUSDIIAW-UHFFFAOYSA-N

Formula

C13H13F3O4

SMILES

CCOC(=O)CCC(=O)OCc1c(F)ccc(F)c1F

Molecular Weight¹

290.24

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	-910.17	kJ/mol	Joback Calculated Property
ΔfH°gas	-1187.46	kJ/mol	Joback Calculated Property
ΔfusH°	37.11	kJ/mol	Joback Calculated Property
ΔvapH°	64.66	kJ/mol	Joback Calculated Property
log10WS	-3.58		Crippen Calculated Property
logPoct/wat	2.490		Crippen Calculated Property
McVol	190.460	ml/mol	McGowan Calculated Property
Pc	2023.58	kPa	Joback Calculated Property
Inp	[1721.00; 1721.00]
Inp	1721.00		NIST
Inp	1721.00		NIST
Tboil	688.85	K	Joback Calculated Property
Tc	876.71	K	Joback Calculated Property
Tfus	446.34	K	Joback Calculated Property
Vc	0.757	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[509.51; 571.32]	J/mol×K	[688.85; 876.71]
Cp,gas	509.51	J/mol×K	688.85	Joback Calculated Property
Cp,gas	521.49	J/mol×K	720.16	Joback Calculated Property
Cp,gas	532.79	J/mol×K	751.47	Joback Calculated Property
Cp,gas	543.44	J/mol×K	782.78	Joback Calculated Property
Cp,gas	553.40	J/mol×K	814.09	Joback Calculated Property
Cp,gas	562.70	J/mol×K	845.40	Joback Calculated Property
Cp,gas	571.32	J/mol×K	876.71	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, ethyl 2,3,6-trifluorobenzyl ester.

Sources

• 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.