Chemical Properties of Succinic acid, 2,2,3,3,4,4,5,5-octafluoropentyl 4-methoxybenzyl ester

InChI

InChI=1S/C17H16F8O5/c1-28-11-4-2-10(3-5-11)8-29-12(26)6-7-13(27)30-9-15(20,21)17(24,25)16(22,23)14(18)19/h2-5,14H,6-9H2,1H3

InChI Key

UDQBJXNTIZQJHG-UHFFFAOYSA-N

Formula

C17H16F8O5

SMILES

COc1ccc(COC(=O)CCC(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F)cc1

Molecular Weight¹

452.29

• 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°	-1930.20	kJ/mol	Joback Calculated Property
ΔfH°gas	-2391.38	kJ/mol	Joback Calculated Property
ΔfusH°	39.07	kJ/mol	Joback Calculated Property
ΔvapH°	66.28	kJ/mol	Joback Calculated Property
log10WS	-5.22		Crippen Calculated Property
logPoct/wat	4.233		Crippen Calculated Property
McVol	261.540	ml/mol	McGowan Calculated Property
Pc	1318.48	kPa	Joback Calculated Property
Inp	[2083.00; 2083.00]
Inp	2083.00		NIST
Inp	2083.00		NIST
Tboil	779.05	K	Joback Calculated Property
Tc	961.25	K	Joback Calculated Property
Tfus	483.82	K	Joback Calculated Property
Vc	1.050	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[799.45; 860.38]	J/mol×K	[779.05; 961.25]
Cp,gas	799.45	J/mol×K	779.05	Joback Calculated Property
Cp,gas	811.72	J/mol×K	809.42	Joback Calculated Property
Cp,gas	823.08	J/mol×K	839.78	Joback Calculated Property
Cp,gas	833.58	J/mol×K	870.15	Joback Calculated Property
Cp,gas	843.27	J/mol×K	900.52	Joback Calculated Property
Cp,gas	852.19	J/mol×K	930.88	Joback Calculated Property
Cp,gas	860.38	J/mol×K	961.25	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 2,2,3,3,4,4,5,5-octafluoropentyl 4-methoxybenzyl ester.

Sources

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

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