Chemical Properties of Glutaric acid, 1-(2-fluorophenyl)ethyl nonyl ester

InChI

InChI=1S/C22H33FO4/c1-3-4-5-6-7-8-11-17-26-21(24)15-12-16-22(25)27-18(2)19-13-9-10-14-20(19)23/h9-10,13-14,18H,3-8,11-12,15-17H2,1-2H3

InChI Key

TVQLHUKGQZCDGS-UHFFFAOYSA-N

Formula

C22H33FO4

SMILES

CCCCCCCCCOC(=O)CCCC(=O)OC(C)c1ccccc1F

Molecular Weight¹

380.49

• 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	-1089.33	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	54.68	kJ/mol	Joback Calculated Property
ΔvapH°	108.51	kJ/mol	Relay (1.0) Calculated Property
log10WS	-5.54		Relay (1.0) Calculated Property
logPoct/wat	5.894		Crippen Calculated Property
McVol	313.730	ml/mol	McGowan Calculated Property
Pc	1081.35	kPa	Joback Calculated Property
Inp	[2598.00; 2598.00]
Inp	2598.00		NIST
Inp	2598.00		NIST
Tboil	631.21	K	Relay (1.0) Calculated Property
Tc	833.16	K	Relay (1.0) Calculated Property
Tfus	294.06	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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[458.04; 1056.59]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			1.85110e+01
Coefficient B			1.86354e+00
Coefficient C			-9.67560e-04
Coefficient D			1.42100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	458.04	J/mol×K	273.00	Calculated Property
Cp,gas	562.98	J/mol×K	353.78	Calculated Property
Cp,gas	657.27	J/mol×K	434.56	Calculated Property
Cp,gas	741.35	J/mol×K	515.33	Calculated Property
Cp,gas	815.67	J/mol×K	596.11	Calculated Property
Cp,gas	880.68	J/mol×K	676.89	Calculated Property
Cp,gas	936.82	J/mol×K	757.67	Calculated Property
Cp,gas	984.56	J/mol×K	838.44	Calculated Property
Cp,gas	1024.33	J/mol×K	919.22	Calculated Property
Cp,gas	1056.59	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 1-(2-fluorophenyl)ethyl 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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.