Chemical Properties of Succinic acid, heptyl 2,4,5-trifluorobenzyl ester

InChI

InChI=1S/C18H23F3O4/c1-2-3-4-5-6-9-24-17(22)7-8-18(23)25-12-13-10-15(20)16(21)11-14(13)19/h10-11H,2-9,12H2,1H3

InChI Key

XTGGPNVOVFZBBV-UHFFFAOYSA-N

Formula

C18H23F3O4

SMILES

CCCCCCCOC(=O)CCC(=O)OCc1cc(F)c(F)cc1F

Molecular Weight¹

360.37

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.9332		Relay (1.0) Calculated Property
ΔfG°	-868.07	kJ/mol	Joback Calculated Property
ΔfH°gas	-1315.60	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	50.06	kJ/mol	Joback Calculated Property
ΔvapH°	95.21	kJ/mol	Relay (1.0) Calculated Property
IE	8.91	eV	Relay (1.0) Calculated Property
log10WS	-5.85		Relay (1.0) Calculated Property
logPoct/wat	4.441		Crippen Calculated Property
McVol	260.910	ml/mol	McGowan Calculated Property
Pc	1368.70	kPa	Joback Calculated Property
Inp	[2169.00; 2169.00]
Inp	2169.00		NIST
Inp	2169.00		NIST
Tboil	604.99	K	Relay (1.0) Calculated Property
Tc	786.20	K	Relay (1.0) Calculated Property
Tfus	301.02	K	Relay (1.0) Calculated Property
Vc	0.987	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[782.37; 854.10]	J/mol×K	[803.25; 991.53]
Cp,gas	782.37	J/mol×K	803.25	Joback Calculated Property
Cp,gas	796.60	J/mol×K	834.63	Joback Calculated Property
Cp,gas	809.91	J/mol×K	866.01	Joback Calculated Property
Cp,gas	822.31	J/mol×K	897.39	Joback Calculated Property
Cp,gas	833.80	J/mol×K	928.77	Joback Calculated Property
Cp,gas	844.39	J/mol×K	960.15	Joback Calculated Property
Cp,gas	854.10	J/mol×K	991.53	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, heptyl 2,4,5-trifluorobenzyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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