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

InChI

InChI=1S/C15H18F2O4/c1-2-3-8-20-14(18)6-7-15(19)21-10-11-9-12(16)4-5-13(11)17/h4-5,9H,2-3,6-8,10H2,1H3

InChI Key

NCQKPWKJZMLAFK-UHFFFAOYSA-N

Formula

C15H18F2O4

SMILES

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

Molecular Weight¹

300.30

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	-688.89	kJ/mol	Joback Calculated Property
ΔfH°gas	-1021.16	kJ/mol	Joback Calculated Property
ΔfusH°	39.60	kJ/mol	Joback Calculated Property
ΔvapH°	69.26	kJ/mol	Joback Calculated Property
log10WS	-4.09		Crippen Calculated Property
logPoct/wat	3.131		Crippen Calculated Property
McVol	216.870	ml/mol	McGowan Calculated Property
Pc	1803.09	kPa	Joback Calculated Property
Inp	[1913.00; 1913.00]
Inp	1913.00		NIST
Inp	1913.00		NIST
Tboil	730.36	K	Joback Calculated Property
Tc	921.52	K	Joback Calculated Property
Tfus	455.77	K	Joback Calculated Property
Vc	0.852	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[608.38; 677.64]	J/mol×K	[730.36; 921.52]
Cp,gas	608.38	J/mol×K	730.36	Joback Calculated Property
Cp,gas	621.95	J/mol×K	762.22	Joback Calculated Property
Cp,gas	634.70	J/mol×K	794.08	Joback Calculated Property
Cp,gas	646.64	J/mol×K	825.94	Joback Calculated Property
Cp,gas	657.77	J/mol×K	857.80	Joback Calculated Property
Cp,gas	668.10	J/mol×K	889.66	Joback Calculated Property
Cp,gas	677.64	J/mol×K	921.52	Joback Calculated Property

Similar Compounds

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

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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