Chemical Properties of Glutaric acid, 4-(trifluoromethyl)benzyl undecyl ester

InChI

InChI=1S/C24H35F3O4/c1-2-3-4-5-6-7-8-9-10-18-30-22(28)12-11-13-23(29)31-19-20-14-16-21(17-15-20)24(25,26)27/h14-17H,2-13,18-19H2,1H3

InChI Key

KWUBOUYWYRDJOL-UHFFFAOYSA-N

Formula

C24H35F3O4

SMILES

CCCCCCCCCCCOC(=O)CCCC(=O)OCc1ccc(C(F)(F)F)cc1

Molecular Weight¹

444.53

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-1536.12	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	62.13	kJ/mol	Joback Calculated Property
ΔvapH°	112.58	kJ/mol	Relay (1.0) Calculated Property
log10WS	-6.67		Relay (1.0) Calculated Property
logPoct/wat	6.993		Crippen Calculated Property
McVol	345.450	ml/mol	McGowan Calculated Property
Pc	911.63	kPa	Joback Calculated Property
Inp	[2954.00; 2954.00]
Inp	2954.00		NIST
Inp	2954.00		NIST
Tboil	665.34	K	Relay (1.0) Calculated Property
Tc	845.22	K	Relay (1.0) Calculated Property
Tfus	313.53	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1125.93; 1206.25]	J/mol×K	[891.40; 1091.38]
Cp,gas	1125.93	J/mol×K	891.40	Joback Calculated Property
Cp,gas	1142.38	J/mol×K	924.73	Joback Calculated Property
Cp,gas	1157.54	J/mol×K	958.06	Joback Calculated Property
Cp,gas	1171.45	J/mol×K	991.39	Joback Calculated Property
Cp,gas	1184.16	J/mol×K	1024.72	Joback Calculated Property
Cp,gas	1195.75	J/mol×K	1058.05	Joback Calculated Property
Cp,gas	1206.25	J/mol×K	1091.38	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 4-(trifluoromethyl)benzyl undecyl 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.
These property values are available through the Cheméo API. A free account gives you an access key.