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

InChI

InChI=1S/C28H41F5O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-36-21(34)17-18-22(35)37-20(2)23-24(29)26(31)28(33)27(32)25(23)30/h20H,3-19H2,1-2H3

InChI Key

SOUYAIKXGNGDLP-UHFFFAOYSA-N

Formula

C28H41F5O4

SMILES

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

Molecular Weight¹

536.61

• 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°	-1195.19	kJ/mol	Joback Calculated Property
ΔfH°gas	-1917.50	kJ/mol	Joback Calculated Property
ΔfusH°	77.82	kJ/mol	Joback Calculated Property
ΔvapH°	97.35	kJ/mol	Joback Calculated Property
log10WS	-10.49		Crippen Calculated Property
logPoct/wat	8.791		Crippen Calculated Property
McVol	405.350	ml/mol	McGowan Calculated Property
Pc	701.72	kPa	Joback Calculated Property
Inp	[2969.00; 2969.00]
Inp	2969.00		NIST
Inp	2969.00		NIST
Tboil	1040.11	K	Joback Calculated Property
Tc	1302.14	K	Joback Calculated Property
Tfus	626.61	K	Joback Calculated Property
Vc	1.627	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1399.93; 1474.74]	J/mol×K	[1040.11; 1302.14]
Cp,gas	1399.93	J/mol×K	1040.11	Joback Calculated Property
Cp,gas	1418.12	J/mol×K	1083.78	Joback Calculated Property
Cp,gas	1433.94	J/mol×K	1127.45	Joback Calculated Property
Cp,gas	1447.46	J/mol×K	1171.12	Joback Calculated Property
Cp,gas	1458.72	J/mol×K	1214.80	Joback Calculated Property
Cp,gas	1467.79	J/mol×K	1258.47	Joback Calculated Property
Cp,gas	1474.74	J/mol×K	1302.14	Joback Calculated Property

Similar Compounds

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

Sources

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

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