Chemical Properties of Succinic acid, 1-(2,6-difluorophenyl)ethyl isobutyl ester

InChI

InChI=1S/C16H20F2O4/c1-10(2)9-21-14(19)7-8-15(20)22-11(3)16-12(17)5-4-6-13(16)18/h4-6,10-11H,7-9H2,1-3H3

InChI Key

UVEKJCXLQQOMPH-UHFFFAOYSA-N

Formula

C16H20F2O4

SMILES

CC(C)COC(=O)CCC(=O)OC(C)c1c(F)cccc1F

Molecular Weight¹

314.32

• 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°	-685.35	kJ/mol	Joback Calculated Property
ΔfH°gas	-1052.36	kJ/mol	Joback Calculated Property
ΔfusH°	35.15	kJ/mol	Joback Calculated Property
ΔvapH°	70.71	kJ/mol	Joback Calculated Property
log10WS	-4.23		Crippen Calculated Property
logPoct/wat	3.548		Crippen Calculated Property
McVol	230.960	ml/mol	McGowan Calculated Property
Pc	1686.56	kPa	Joback Calculated Property
Inp	[1886.00; 1886.00]
Inp	1886.00		NIST
Inp	1886.00		NIST
Tboil	752.36	K	Joback Calculated Property
Tc	947.69	K	Joback Calculated Property
Tfus	437.04	K	Joback Calculated Property
Vc	0.895	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[664.18; 736.53]	J/mol×K	[752.36; 947.69]
Cp,gas	664.18	J/mol×K	752.36	Joback Calculated Property
Cp,gas	678.52	J/mol×K	784.92	Joback Calculated Property
Cp,gas	691.93	J/mol×K	817.47	Joback Calculated Property
Cp,gas	704.44	J/mol×K	850.03	Joback Calculated Property
Cp,gas	716.03	J/mol×K	882.58	Joback Calculated Property
Cp,gas	726.73	J/mol×K	915.14	Joback Calculated Property
Cp,gas	736.53	J/mol×K	947.69	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 1-(2,6-difluorophenyl)ethyl isobutyl ester.

Sources

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

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