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

InChI

InChI=1S/C18H24F2O4/c1-2-3-4-5-6-11-23-17(21)9-10-18(22)24-13-14-12-15(19)7-8-16(14)20/h7-8,12H,2-6,9-11,13H2,1H3

InChI Key

GEXJECBJEVCAKR-UHFFFAOYSA-N

Formula

C18H24F2O4

SMILES

CCCCCCCOC(=O)CCC(=O)OCc1cc(F)ccc1F

Molecular Weight¹

342.38

• 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	-1150.28	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	47.37	kJ/mol	Joback Calculated Property
ΔvapH°	96.28	kJ/mol	Relay (1.0) Calculated Property
log10WS	-5.39		Relay (1.0) Calculated Property
logPoct/wat	4.302		Crippen Calculated Property
McVol	259.140	ml/mol	McGowan Calculated Property
Pc	1431.55	kPa	Joback Calculated Property
Inp	[2212.00; 2212.00]
Inp	2212.00		NIST
Inp	2212.00		NIST
Tboil	615.56	K	Relay (1.0) Calculated Property
Tc	798.71	K	Relay (1.0) Calculated Property
Tfus	289.14	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	[775.61; 849.60]	J/mol×K	[799.00; 990.08]
Cp,gas	775.61	J/mol×K	799.00	Joback Calculated Property
Cp,gas	790.29	J/mol×K	830.85	Joback Calculated Property
Cp,gas	804.01	J/mol×K	862.69	Joback Calculated Property
Cp,gas	816.79	J/mol×K	894.54	Joback Calculated Property
Cp,gas	828.64	J/mol×K	926.39	Joback Calculated Property
Cp,gas	839.57	J/mol×K	958.23	Joback Calculated Property
Cp,gas	849.60	J/mol×K	990.08	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 2,5-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.