Chemical Properties of Succinic acid, 2,5-difluorobenzyl isobutyl ester

InChI

InChI=1S/C15H18F2O4/c1-10(2)8-20-14(18)5-6-15(19)21-9-11-7-12(16)3-4-13(11)17/h3-4,7,10H,5-6,8-9H2,1-2H3

InChI Key

TUWPLUSDGUQYDZ-UHFFFAOYSA-N

Formula

C15H18F2O4

SMILES

CC(C)COC(=O)CCC(=O)OCc1cc(F)ccc1F

Molecular Weight¹

300.30

• 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).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-1105.56	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	39.24	kJ/mol	Joback Calculated Property
ΔvapH°	85.37	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	2.987		Crippen Calculated Property
McVol	216.870	ml/mol	McGowan Calculated Property
Pc	1694.90	kPa	Joback Calculated Property
Inp	[1870.00; 1870.00]
Inp	1870.00		NIST
Inp	1870.00		NIST
Tboil	581.60	K	Relay (1.0) Calculated Property
Tc	768.26	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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	[320.29; 699.48]	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			4.52640e+01
Coefficient B			1.15084e+00
Coefficient C			-5.36120e-04
Coefficient D			3.95000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	320.29	J/mol×K	273.00	Calculated Property
Cp,gas	387.05	J/mol×K	353.78	Calculated Property
Cp,gas	447.37	J/mol×K	434.56	Calculated Property
Cp,gas	501.36	J/mol×K	515.33	Calculated Property
Cp,gas	549.15	J/mol×K	596.11	Calculated Property
Cp,gas	590.87	J/mol×K	676.89	Calculated Property
Cp,gas	626.63	J/mol×K	757.67	Calculated Property
Cp,gas	656.57	J/mol×K	838.44	Calculated Property
Cp,gas	680.82	J/mol×K	919.22	Calculated Property
Cp,gas	699.48	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 2,5-difluorobenzyl isobutyl 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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