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

InChI

InChI=1S/C15H25F3O4/c1-4-6-8-12(7-5-2)22-14(20)10-9-13(19)21-11(3)15(16,17)18/h11-12H,4-10H2,1-3H3

InChI Key

XLCYUUXVPIZSSL-UHFFFAOYSA-N

Formula

C15H25F3O4

SMILES

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

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°	-978.89	kJ/mol	Joback Calculated Property
ΔfH°gas	-1450.17	kJ/mol	Joback Calculated Property
ΔfusH°	34.96	kJ/mol	Joback Calculated Property
ΔvapH°	62.77	kJ/mol	Joback Calculated Property
log10WS	-4.71		Crippen Calculated Property
logPoct/wat	4.163		Crippen Calculated Property
McVol	242.400	ml/mol	McGowan Calculated Property
Pc	1406.95	kPa	Joback Calculated Property
Inp	[1533.00; 1533.00]
Inp	1533.00		NIST
Inp	1533.00		NIST
Tboil	688.88	K	Joback Calculated Property
Tc	859.96	K	Joback Calculated Property
Tfus	377.32	K	Joback Calculated Property
Vc	0.955	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[704.11; 784.87]	J/mol×K	[688.88; 859.96]
Cp,gas	704.11	J/mol×K	688.88	Joback Calculated Property
Cp,gas	719.49	J/mol×K	717.39	Joback Calculated Property
Cp,gas	734.07	J/mol×K	745.91	Joback Calculated Property
Cp,gas	747.89	J/mol×K	774.42	Joback Calculated Property
Cp,gas	760.95	J/mol×K	802.94	Joback Calculated Property
Cp,gas	773.27	J/mol×K	831.45	Joback Calculated Property
Cp,gas	784.87	J/mol×K	859.96	Joback Calculated Property

Similar Compounds

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

Sources

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

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