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

InChI

InChI=1S/C15H23F3O4/c1-4-6-7-8-12(5-2)22-14(20)10-9-13(19)21-11(3)15(16,17)18/h5,11-12H,2,4,6-10H2,1,3H3

InChI Key

QNXBOKWZLWBLLM-UHFFFAOYSA-N

Formula

C15H23F3O4

SMILES

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

Molecular Weight¹

324.34

• 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°	-891.05	kJ/mol	Joback Calculated Property
ΔfH°gas	-1324.74	kJ/mol	Joback Calculated Property
ΔfusH°	33.68	kJ/mol	Joback Calculated Property
ΔvapH°	62.10	kJ/mol	Joback Calculated Property
log10WS	-4.57		Crippen Calculated Property
logPoct/wat	3.939		Crippen Calculated Property
McVol	238.100	ml/mol	McGowan Calculated Property
Pc	1452.35	kPa	Joback Calculated Property
Inp	[1603.00; 1603.00]
Inp	1603.00		NIST
Inp	1603.00		NIST
Tboil	685.56	K	Joback Calculated Property
Tc	858.27	K	Joback Calculated Property
Tfus	375.56	K	Joback Calculated Property
Vc	0.935	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[680.39; 758.16]	J/mol×K	[685.56; 858.27]
Cp,gas	680.39	J/mol×K	685.56	Joback Calculated Property
Cp,gas	695.25	J/mol×K	714.34	Joback Calculated Property
Cp,gas	709.31	J/mol×K	743.13	Joback Calculated Property
Cp,gas	722.62	J/mol×K	771.91	Joback Calculated Property
Cp,gas	735.18	J/mol×K	800.70	Joback Calculated Property
Cp,gas	747.02	J/mol×K	829.48	Joback Calculated Property
Cp,gas	758.16	J/mol×K	858.27	Joback Calculated Property

Similar Compounds

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

Sources

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

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