Chemical Properties of Succinic acid, nonyl 3,4,5-trifluorobenzyl ester

InChI

InChI=1S/C20H27F3O4/c1-2-3-4-5-6-7-8-11-26-18(24)9-10-19(25)27-14-15-12-16(21)20(23)17(22)13-15/h12-13H,2-11,14H2,1H3

InChI Key

CBPHWQIWKOZJIK-UHFFFAOYSA-N

Formula

C20H27F3O4

SMILES

CCCCCCCCCOC(=O)CCC(=O)OCc1cc(F)c(F)c(F)c1

Molecular Weight¹

388.42

• 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°	-851.23	kJ/mol	Joback Calculated Property
ΔfH°gas	-1331.94	kJ/mol	Joback Calculated Property
ΔfusH°	55.24	kJ/mol	Joback Calculated Property
ΔvapH°	80.24	kJ/mol	Joback Calculated Property
log10WS	-6.51		Crippen Calculated Property
logPoct/wat	5.221		Crippen Calculated Property
McVol	289.090	ml/mol	McGowan Calculated Property
Pc	1193.17	kPa	Joback Calculated Property
Inp	[2384.00; 2384.00]
Inp	2384.00		NIST
Inp	2384.00		NIST
Tboil	849.01	K	Joback Calculated Property
Tc	1041.90	K	Joback Calculated Property
Tfus	525.23	K	Joback Calculated Property
Vc	1.149	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[898.45; 972.79]	J/mol×K	[849.01; 1041.90]
Cp,gas	898.45	J/mol×K	849.01	Joback Calculated Property
Cp,gas	913.42	J/mol×K	881.16	Joback Calculated Property
Cp,gas	927.34	J/mol×K	913.31	Joback Calculated Property
Cp,gas	940.22	J/mol×K	945.45	Joback Calculated Property
Cp,gas	952.08	J/mol×K	977.60	Joback Calculated Property
Cp,gas	962.94	J/mol×K	1009.75	Joback Calculated Property
Cp,gas	972.79	J/mol×K	1041.90	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, nonyl 3,4,5-trifluorobenzyl ester.

Sources

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

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