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

InChI

InChI=1S/C15H25F3O4/c1-10(8-14(3,4)5)9-21-12(19)6-7-13(20)22-11(2)15(16,17)18/h10-11H,6-9H2,1-5H3

InChI Key

LKFDDPTVCISPQJ-UHFFFAOYSA-N

Formula

C15H25F3O4

SMILES

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

Molecular Weight¹

326.35

• 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°	-976.05	kJ/mol	Joback Calculated Property
ΔfH°gas	-1458.92	kJ/mol	Joback Calculated Property
ΔfusH°	27.55	kJ/mol	Joback Calculated Property
ΔvapH°	61.48	kJ/mol	Joback Calculated Property
log10WS	-4.12		Crippen Calculated Property
logPoct/wat	3.876		Crippen Calculated Property
McVol	242.400	ml/mol	McGowan Calculated Property
Pc	1427.22	kPa	Joback Calculated Property
Inp	[1503.00; 1503.00]
Inp	1503.00		NIST
Inp	1503.00		NIST
Tboil	685.65	K	Joback Calculated Property
Tc	862.33	K	Joback Calculated Property
Tfus	379.74	K	Joback Calculated Property
Vc	0.944	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[706.54; 788.19]	J/mol×K	[685.65; 862.33]
Cp,gas	706.54	J/mol×K	685.65	Joback Calculated Property
Cp,gas	722.23	J/mol×K	715.10	Joback Calculated Property
Cp,gas	737.05	J/mol×K	744.54	Joback Calculated Property
Cp,gas	751.03	J/mol×K	773.99	Joback Calculated Property
Cp,gas	764.19	J/mol×K	803.44	Joback Calculated Property
Cp,gas	776.57	J/mol×K	832.89	Joback Calculated Property
Cp,gas	788.19	J/mol×K	862.33	Joback Calculated Property

Similar Compounds

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

Sources

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

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