Chemical Properties of Glutaric acid, 3,4-difluorobenzyl heptyl ester

InChI

InChI=1S/C19H26F2O4/c1-2-3-4-5-6-12-24-18(22)8-7-9-19(23)25-14-15-10-11-16(20)17(21)13-15/h10-11,13H,2-9,12,14H2,1H3

InChI Key

ANBNESPJMFZTFR-UHFFFAOYSA-N

Formula

C19H26F2O4

SMILES

CCCCCCCOC(=O)CCCC(=O)OCc1ccc(F)c(F)c1

Molecular Weight¹

356.40

• 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	-1167.36	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	53.13	kJ/mol	Joback Calculated Property
ΔvapH°	98.84	kJ/mol	Relay (1.0) Calculated Property
log10WS	-5.43		Relay (1.0) Calculated Property
logPoct/wat	4.692		Crippen Calculated Property
McVol	273.230	ml/mol	McGowan Calculated Property
Pc	1256.59	kPa	Joback Calculated Property
Inp	[2583.00; 2583.00]
Inp	2583.00		NIST
Inp	2583.00		NIST
Tboil	624.90	K	Relay (1.0) Calculated Property
Tc	806.12	K	Relay (1.0) Calculated Property
Tfus	272.91	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	[405.46; 905.31]	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			4.33100e+01
Coefficient B			1.52492e+00
Coefficient C			-7.50520e-04
Coefficient D			8.76000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	405.46	J/mol×K	273.00	Calculated Property
Cp,gas	492.74	J/mol×K	353.78	Calculated Property
Cp,gas	571.43	J/mol×K	434.56	Calculated Property
Cp,gas	641.83	J/mol×K	515.33	Calculated Property
Cp,gas	704.19	J/mol×K	596.11	Calculated Property
Cp,gas	758.81	J/mol×K	676.89	Calculated Property
Cp,gas	805.95	J/mol×K	757.67	Calculated Property
Cp,gas	845.90	J/mol×K	838.44	Calculated Property
Cp,gas	878.92	J/mol×K	919.22	Calculated Property
Cp,gas	905.31	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 3,4-difluorobenzyl heptyl 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.
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