Chemical Properties of Glutaric acid, 2,5-difluorobenzyl nonyl ester

InChI

InChI=1S/C21H30F2O4/c1-2-3-4-5-6-7-8-14-26-20(24)10-9-11-21(25)27-16-17-15-18(22)12-13-19(17)23/h12-13,15H,2-11,14,16H2,1H3

InChI Key

ZSGWAMNCHXWWMO-UHFFFAOYSA-N

Formula

C21H30F2O4

SMILES

CCCCCCCCCOC(=O)CCCC(=O)OCc1cc(F)ccc1F

Molecular Weight¹

384.46

• 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	1.0273		Relay (1.0) Calculated Property
ΔfG°	-638.37	kJ/mol	Joback Calculated Property
ΔfH°gas	-1208.31	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	55.14	kJ/mol	Joback Calculated Property
ΔvapH°	106.29	kJ/mol	Relay (1.0) Calculated Property
IE	8.78	eV	Relay (1.0) Calculated Property
log10WS	-6.08		Relay (1.0) Calculated Property
logPoct/wat	5.472		Crippen Calculated Property
McVol	301.410	ml/mol	McGowan Calculated Property
Pc	1164.04	kPa	Joback Calculated Property
Inp	[2545.00; 2545.00]
Inp	2545.00		NIST
Inp	2545.00		NIST
Tboil	645.53	K	Relay (1.0) Calculated Property
Tc	826.23	K	Relay (1.0) Calculated Property
Tfus	297.24	K	Relay (1.0) Calculated Property
Vc	1.138	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[951.07; 1028.36]	J/mol×K	[867.64; 1064.57]
Cp,gas	951.07	J/mol×K	867.64	Joback Calculated Property
Cp,gas	966.71	J/mol×K	900.46	Joback Calculated Property
Cp,gas	981.22	J/mol×K	933.28	Joback Calculated Property
Cp,gas	994.62	J/mol×K	966.10	Joback Calculated Property
Cp,gas	1006.93	J/mol×K	998.92	Joback Calculated Property
Cp,gas	1018.17	J/mol×K	1031.75	Joback Calculated Property
Cp,gas	1028.36	J/mol×K	1064.57	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2,5-difluorobenzyl nonyl 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.