Chemical Properties of Glutaric acid, octadecyl 2,3,6-trifluorobenzyl ester

InChI

InChI=1S/C30H47F3O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23-36-28(34)19-18-20-29(35)37-24-25-26(31)21-22-27(32)30(25)33/h21-22H,2-20,23-24H2,1H3

InChI Key

NCTIEFDHYZZYJX-UHFFFAOYSA-N

Formula

C30H47F3O4

SMILES

CCCCCCCCCCCCCCCCCCOC(=O)CCCC(=O)OCc1c(F)ccc(F)c1F

Molecular Weight¹

528.69

• 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	1.3656		Relay (1.0) Calculated Property
ΔfG°	-767.03	kJ/mol	Joback Calculated Property
ΔfH°gas	-1529.11	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	81.14	kJ/mol	Joback Calculated Property
ΔvapH°	140.56	kJ/mol	Relay (1.0) Calculated Property
IE	9.15	eV	Relay (1.0) Calculated Property
log10WS	-8.96		Relay (1.0) Calculated Property
logPoct/wat	9.122		Crippen Calculated Property
McVol	429.990	ml/mol	McGowan Calculated Property
Pc	672.90	kPa	Joback Calculated Property
Inp	[3471.00; 3471.00]
Inp	3471.00		NIST
Inp	3471.00		NIST
Tboil	706.98	K	Relay (1.0) Calculated Property
Tc	883.13	K	Relay (1.0) Calculated Property
Tfus	332.13	K	Relay (1.0) Calculated Property
Vc	1.632	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1514.51; 1594.73]	J/mol×K	[1077.81; 1354.40]
Cp,gas	1514.51	J/mol×K	1077.81	Joback Calculated Property
Cp,gas	1533.92	J/mol×K	1123.91	Joback Calculated Property
Cp,gas	1550.76	J/mol×K	1170.01	Joback Calculated Property
Cp,gas	1565.15	J/mol×K	1216.11	Joback Calculated Property
Cp,gas	1577.21	J/mol×K	1262.21	Joback Calculated Property
Cp,gas	1587.03	J/mol×K	1308.31	Joback Calculated Property
Cp,gas	1594.73	J/mol×K	1354.40	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, octadecyl 2,3,6-trifluorobenzyl ester.

Sources

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

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