Chemical Properties of Glutaric acid, 1,1,1-trifluoroprop-2-yl 3-methylbutyl ester

InChI

InChI=1S/C13H21F3O4/c1-9(2)7-8-19-11(17)5-4-6-12(18)20-10(3)13(14,15)16/h9-10H,4-8H2,1-3H3

InChI Key

QIEVGBQSEDRTBQ-UHFFFAOYSA-N

Formula

C13H21F3O4

SMILES

CC(C)CCOC(=O)CCCC(=O)OC(C)C(F)(F)F

Molecular Weight¹

298.30

• 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	-1590.03	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	32.94	kJ/mol	Joback Calculated Property
ΔvapH°	69.56	kJ/mol	Relay (1.0) Calculated Property
log10WS	-3.04		Relay (1.0) Calculated Property
logPoct/wat	3.240		Crippen Calculated Property
McVol	214.220	ml/mol	McGowan Calculated Property
Pc	1530.66	kPa	Joback Calculated Property
Inp	[1425.00; 1425.00]
Inp	1425.00		NIST
Inp	1425.00		NIST
Tboil	513.84	K	Relay (1.0) Calculated Property
Tc	662.76	K	Relay (1.0) Calculated Property
Tfus	255.24	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	[583.19; 661.80]	J/mol×K	[607.18; 772.90]
Cp,gas	583.19	J/mol×K	607.18	Joback Calculated Property
Cp,gas	598.15	J/mol×K	634.80	Joback Calculated Property
Cp,gas	612.34	J/mol×K	662.42	Joback Calculated Property
Cp,gas	625.79	J/mol×K	690.04	Joback Calculated Property
Cp,gas	638.50	J/mol×K	717.66	Joback Calculated Property
Cp,gas	650.50	J/mol×K	745.28	Joback Calculated Property
Cp,gas	661.80	J/mol×K	772.90	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 1,1,1-trifluoroprop-2-yl 3-methylbutyl 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.
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