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_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°	-1401.23	kJ/mol	Joback Calculated Property
ΔfH°gas	-1802.04	kJ/mol	Joback Calculated Property
ΔfusH°	47.93	kJ/mol	Joback Calculated Property
ΔvapH°	73.05	kJ/mol	Joback Calculated Property
log10WS	-4.50		Crippen Calculated Property
logPoct/wat	3.284		Crippen Calculated Property
McVol	242.140	ml/mol	McGowan Calculated Property
Pc	1434.80	kPa	Joback Calculated Property
Inp	[1944.00; 1944.00]
Inp	1944.00		NIST
Inp	1944.00		NIST
Tboil	787.97	K	Joback Calculated Property
Tc	971.51	K	Joback Calculated Property
Tfus	513.60	K	Joback Calculated Property
Vc	0.974	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[711.28; 773.61]	J/mol×K	[787.97; 971.51]
Cp,gas	711.28	J/mol×K	787.97	Joback Calculated Property
Cp,gas	723.78	J/mol×K	818.56	Joback Calculated Property
Cp,gas	735.45	J/mol×K	849.15	Joback Calculated Property
Cp,gas	746.28	J/mol×K	879.74	Joback Calculated Property
Cp,gas	756.26	J/mol×K	910.33	Joback Calculated Property
Cp,gas	765.37	J/mol×K	940.92	Joback Calculated Property
Cp,gas	773.61	J/mol×K	971.51	Joback Calculated Property

Similar Compounds

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

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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