Chemical Properties of Glutaric acid, octadecyl 1-(pentafluorophenyl)ethyl ester

InChI

InChI=1S/C31H47F5O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-39-24(37)20-19-21-25(38)40-23(2)26-27(32)29(34)31(36)30(35)28(26)33/h23H,3-22H2,1-2H3

InChI Key

XCBBIVURVMZQKH-UHFFFAOYSA-N

Formula

C31H47F5O4

SMILES

CCCCCCCCCCCCCCCCCCOC(=O)CCCC(=O)OC(C)c1c(F)c(F)c(F)c(F)c1F

Molecular Weight¹

578.69

• 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	1.3913		Relay (1.0) Calculated Property
ΔfG°	-1169.93	kJ/mol	Joback Calculated Property
ΔfH°gas	-1866.93	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	85.59	kJ/mol	Joback Calculated Property
ΔvapH°	139.57	kJ/mol	Relay (1.0) Calculated Property
IE	9.43	eV	Relay (1.0) Calculated Property
log10WS	-9.82		Relay (1.0) Calculated Property
logPoct/wat	9.961		Crippen Calculated Property
McVol	447.620	ml/mol	McGowan Calculated Property
Pc	605.77	kPa	Joback Calculated Property
Inp	[3317.00; 3317.00]
Inp	3317.00		NIST
Inp	3317.00		NIST
Tboil	696.20	K	Relay (1.0) Calculated Property
Tc	866.31	K	Relay (1.0) Calculated Property
Tfus	339.10	K	Relay (1.0) Calculated Property
Vc	1.691	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1588.76; 1658.51]	J/mol×K	[1108.75; 1420.88]
Cp,gas	1588.76	J/mol×K	1108.75	Joback Calculated Property
Cp,gas	1608.49	J/mol×K	1160.77	Joback Calculated Property
Cp,gas	1624.81	J/mol×K	1212.79	Joback Calculated Property
Cp,gas	1637.83	J/mol×K	1264.82	Joback Calculated Property
Cp,gas	1647.70	J/mol×K	1316.84	Joback Calculated Property
Cp,gas	1654.55	J/mol×K	1368.86	Joback Calculated Property
Cp,gas	1658.51	J/mol×K	1420.88	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, octadecyl 1-(pentafluorophenyl)ethyl ester.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.