Chemical Properties of Succinic acid, 1-(pentafluorophenyl)ethyl propyl ester

InChI

InChI=1S/C15H15F5O4/c1-3-6-23-8(21)4-5-9(22)24-7(2)10-11(16)13(18)15(20)14(19)12(10)17/h7H,3-6H2,1-2H3

InChI Key

YCVATWIYIHCZLO-UHFFFAOYSA-N

Formula

C15H15F5O4

SMILES

CCCOC(=O)CCC(=O)OC(C)c1c(F)c(F)c(F)c(F)c1F

Molecular Weight¹

354.27

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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.
• 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	-1567.35	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	47.32	kJ/mol	Joback Calculated Property
ΔvapH°	82.63	kJ/mol	Relay (1.0) Calculated Property
IE	9.40	eV	Relay (1.0) Calculated Property
log10WS	-5.33		Relay (1.0) Calculated Property
logPoct/wat	3.720		Crippen Calculated Property
McVol	222.180	ml/mol	McGowan Calculated Property
Pc	1469.10	kPa	Joback Calculated Property
Inp	[1722.00; 1722.00]
Inp	1722.00		NIST
Inp	1722.00		NIST
Tboil	545.66	K	Relay (1.0) Calculated Property
Tc	728.74	K	Relay (1.0) Calculated Property
Tfus	303.14	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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	[620.24; 683.77]	J/mol×K	[706.73; 882.06]
Cp,gas	620.24	J/mol×K	706.73	Joback Calculated Property
Cp,gas	632.65	J/mol×K	735.95	Joback Calculated Property
Cp,gas	644.34	J/mol×K	765.17	Joback Calculated Property
Cp,gas	655.30	J/mol×K	794.39	Joback Calculated Property
Cp,gas	665.52	J/mol×K	823.61	Joback Calculated Property
Cp,gas	675.02	J/mol×K	852.83	Joback Calculated Property
Cp,gas	683.77	J/mol×K	882.06	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 1-(pentafluorophenyl)ethyl propyl 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.
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