Chemical Properties of Succinic acid, 1,1,1-trifluoroprop-2-yl 2,3-dimethylphenyl ester

InChI

InChI=1S/C15H17F3O4/c1-9-5-4-6-12(10(9)2)22-14(20)8-7-13(19)21-11(3)15(16,17)18/h4-6,11H,7-8H2,1-3H3

InChI Key

MMVJTMMWXODNKR-UHFFFAOYSA-N

Formula

C15H17F3O4

SMILES

Cc1cccc(OC(=O)CCC(=O)OC(C)C(F)(F)F)c1C

Molecular Weight¹

318.29

• 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°	-883.30	kJ/mol	Joback Calculated Property
ΔfH°gas	-1231.30	kJ/mol	Joback Calculated Property
ΔfusH°	31.75	kJ/mol	Joback Calculated Property
ΔvapH°	66.76	kJ/mol	Joback Calculated Property
log10WS	-4.47		Crippen Calculated Property
logPoct/wat	3.483		Crippen Calculated Property
McVol	218.640	ml/mol	McGowan Calculated Property
Pc	1775.84	kPa	Joback Calculated Property
Inp	[1771.00; 1771.00]
Inp	1771.00		NIST
Inp	1771.00		NIST
Tboil	725.96	K	Joback Calculated Property
Tc	920.94	K	Joback Calculated Property
Tfus	443.78	K	Joback Calculated Property
Vc	0.853	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[619.18; 687.41]	J/mol×K	[725.96; 920.94]
Cp,gas	619.18	J/mol×K	725.96	Joback Calculated Property
Cp,gas	632.69	J/mol×K	758.46	Joback Calculated Property
Cp,gas	645.31	J/mol×K	790.95	Joback Calculated Property
Cp,gas	657.08	J/mol×K	823.45	Joback Calculated Property
Cp,gas	668.00	J/mol×K	855.95	Joback Calculated Property
Cp,gas	678.11	J/mol×K	888.45	Joback Calculated Property
Cp,gas	687.41	J/mol×K	920.94	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 1,1,1-trifluoroprop-2-yl 2,3-dimethylphenyl ester.

Sources

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

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