Chemical Properties of Succinic acid, 3-methylbut-2-en-1-yl 2,3,4-trifluorophenyl ester

InChI

InChI=1S/C15H15F3O4/c1-9(2)7-8-21-12(19)5-6-13(20)22-11-4-3-10(16)14(17)15(11)18/h3-4,7H,5-6,8H2,1-2H3

InChI Key

WWAAVPHVKMDEAJ-UHFFFAOYSA-N

Formula

C15H15F3O4

SMILES

CC(C)=CCOC(=O)CCC(=O)Oc1ccc(F)c(F)c1F

Molecular Weight¹

316.27

• 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°	-821.66	kJ/mol	Joback Calculated Property
ΔfH°gas	-1121.31	kJ/mol	Joback Calculated Property
ΔfusH°	41.19	kJ/mol	Joback Calculated Property
ΔvapH°	69.14	kJ/mol	Joback Calculated Property
log10WS	-4.43		Crippen Calculated Property
logPoct/wat	3.299		Crippen Calculated Property
McVol	214.340	ml/mol	McGowan Calculated Property
Pc	1798.51	kPa	Joback Calculated Property
Inp	[1902.00; 1902.00]
Inp	1902.00		NIST
Inp	1902.00		NIST
Tboil	738.65	K	Joback Calculated Property
Tc	932.27	K	Joback Calculated Property
Tfus	449.84	K	Joback Calculated Property
Vc	0.851	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[590.69; 654.70]	J/mol×K	[738.65; 932.27]
Cp,gas	590.69	J/mol×K	738.65	Joback Calculated Property
Cp,gas	603.24	J/mol×K	770.92	Joback Calculated Property
Cp,gas	615.02	J/mol×K	803.19	Joback Calculated Property
Cp,gas	626.04	J/mol×K	835.46	Joback Calculated Property
Cp,gas	636.32	J/mol×K	867.73	Joback Calculated Property
Cp,gas	645.87	J/mol×K	900.00	Joback Calculated Property
Cp,gas	654.70	J/mol×K	932.27	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 3-methylbut-2-en-1-yl 2,3,4-trifluorophenyl ester.

Sources

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

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