Chemical Properties of Succinic acid, 1,1,1-trifluoroprop-2-yl 2,4-dimethylpent-3-yl ester

InChI

InChI=1S/C14H23F3O4/c1-8(2)13(9(3)4)21-12(19)7-6-11(18)20-10(5)14(15,16)17/h8-10,13H,6-7H2,1-5H3

InChI Key

XSIGMHWSUFXFCF-UHFFFAOYSA-N

Formula

C14H23F3O4

SMILES

CC(C)C(OC(=O)CCC(=O)OC(C)C(F)(F)F)C(C)C

Molecular Weight¹

312.33

• 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°	-992.19	kJ/mol	Joback Calculated Property
ΔfH°gas	-1440.09	kJ/mol	Joback Calculated Property
ΔfusH°	25.32	kJ/mol	Joback Calculated Property
ΔvapH°	59.77	kJ/mol	Joback Calculated Property
log10WS	-3.81		Crippen Calculated Property
logPoct/wat	3.484		Crippen Calculated Property
McVol	228.310	ml/mol	McGowan Calculated Property
Pc	1533.06	kPa	Joback Calculated Property
Inp	[1430.00; 1430.00]
Inp	1430.00		NIST
Inp	1430.00		NIST
Tboil	665.12	K	Joback Calculated Property
Tc	840.30	K	Joback Calculated Property
Tfus	336.05	K	Joback Calculated Property
Vc	0.886	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[650.35; 730.85]	J/mol×K	[665.12; 840.30]
Cp,gas	650.35	J/mol×K	665.12	Joback Calculated Property
Cp,gas	665.73	J/mol×K	694.32	Joback Calculated Property
Cp,gas	680.30	J/mol×K	723.51	Joback Calculated Property
Cp,gas	694.08	J/mol×K	752.71	Joback Calculated Property
Cp,gas	707.09	J/mol×K	781.91	Joback Calculated Property
Cp,gas	719.34	J/mol×K	811.10	Joback Calculated Property
Cp,gas	730.85	J/mol×K	840.30	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 1,1,1-trifluoroprop-2-yl 2,4-dimethylpent-3-yl ester.

Sources

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

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