Chemical Properties of Succinic acid, isobutyl 2-(pentafluorophenoxy)ethyl ester

InChI

InChI=1S/C16H17F5O5/c1-8(2)7-26-10(23)4-3-9(22)24-5-6-25-16-14(20)12(18)11(17)13(19)15(16)21/h8H,3-7H2,1-2H3

InChI Key

YPRYTYREFORBNK-UHFFFAOYSA-N

Formula

C16H17F5O5

SMILES

CC(C)COC(=O)CCC(=O)OCCOc1c(F)c(F)c(F)c(F)c1F

Molecular Weight¹

384.30

• 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).
• 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	-1681.28	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	51.09	kJ/mol	Joback Calculated Property
ΔvapH°	90.73	kJ/mol	Relay (1.0) Calculated Property
IE	9.27	eV	Relay (1.0) Calculated Property
logPoct/wat	3.284		Crippen Calculated Property
McVol	242.140	ml/mol	McGowan Calculated Property
Pc	1349.66	kPa	Joback Calculated Property
Inp	[1944.00; 1944.00]
Inp	1944.00		NIST
Inp	1944.00		NIST
Tboil	579.65	K	Relay (1.0) Calculated Property
Tc	751.62	K	Relay (1.0) Calculated Property
Tfus	311.69	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l 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	[701.44; 765.08]	J/mol×K	[752.03; 929.73]
Cp,gas	701.44	J/mol×K	752.03	Joback Calculated Property
Cp,gas	714.15	J/mol×K	781.65	Joback Calculated Property
Cp,gas	726.03	J/mol×K	811.26	Joback Calculated Property
Cp,gas	737.07	J/mol×K	840.88	Joback Calculated Property
Cp,gas	747.26	J/mol×K	870.50	Joback Calculated Property
Cp,gas	756.60	J/mol×K	900.12	Joback Calculated Property
Cp,gas	765.08	J/mol×K	929.73	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, isobutyl 2-(pentafluorophenoxy)ethyl 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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