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

InChI

InChI=1S/C27H41F3O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-33-26(31)16-17-27(32)34-21-22-19-24(29)25(30)20-23(22)28/h19-20H,2-18,21H2,1H3

InChI Key

WWUVXUNDBZBLFV-UHFFFAOYSA-N

Formula

C27H41F3O4

SMILES

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

Molecular Weight¹

486.61

• 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	1.2614		Relay (1.0) Calculated Property
ΔfG°	-792.29	kJ/mol	Joback Calculated Property
ΔfH°gas	-1481.68	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	73.37	kJ/mol	Joback Calculated Property
ΔvapH°	130.44	kJ/mol	Relay (1.0) Calculated Property
IE	9.15	eV	Relay (1.0) Calculated Property
log10WS	-8.43		Relay (1.0) Calculated Property
logPoct/wat	7.952		Crippen Calculated Property
McVol	387.720	ml/mol	McGowan Calculated Property
Pc	785.95	kPa	Joback Calculated Property
Inp	[3064.00; 3064.00]
Inp	3064.00		NIST
Inp	3064.00		NIST
Tboil	674.70	K	Relay (1.0) Calculated Property
Tc	858.64	K	Relay (1.0) Calculated Property
Tfus	329.69	K	Relay (1.0) Calculated Property
Vc	1.474	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1325.28; 1405.45]	J/mol×K	[1009.17; 1247.41]
Cp,gas	1325.28	J/mol×K	1009.17	Joback Calculated Property
Cp,gas	1343.13	J/mol×K	1048.88	Joback Calculated Property
Cp,gas	1359.11	J/mol×K	1088.58	Joback Calculated Property
Cp,gas	1373.27	J/mol×K	1128.29	Joback Calculated Property
Cp,gas	1385.68	J/mol×K	1168.00	Joback Calculated Property
Cp,gas	1396.39	J/mol×K	1207.71	Joback Calculated Property
Cp,gas	1405.45	J/mol×K	1247.41	Joback Calculated Property

Similar Compounds

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

Sources

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

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