Chemical Properties of Succinic acid, 1,1,1-trifluoroprop-2-yl 2,6-dimethylnon-1-en-3-yn-5-yl ester

InChI

InChI=1S/C18H25F3O4/c1-6-7-13(4)15(9-8-12(2)3)25-17(23)11-10-16(22)24-14(5)18(19,20)21/h13-15H,2,6-7,10-11H2,1,3-5H3

InChI Key

SBKKZCMYUZLGFC-UHFFFAOYSA-N

Formula

C18H25F3O4

SMILES

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

Molecular Weight¹

362.38

• 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°	-673.98	kJ/mol	Joback Calculated Property
ΔfH°gas	-1129.43	kJ/mol	Joback Calculated Property
ΔfusH°	39.74	kJ/mol	Joback Calculated Property
ΔvapH°	70.62	kJ/mol	Joback Calculated Property
log10WS	-5.38		Crippen Calculated Property
logPoct/wat	4.188		Crippen Calculated Property
McVol	271.770	ml/mol	McGowan Calculated Property
Pc	1332.96	kPa	Joback Calculated Property
Inp	[1732.00; 1732.00]
Inp	1732.00		NIST
Inp	1732.00		NIST
Tboil	762.64	K	Joback Calculated Property
Tc	951.81	K	Joback Calculated Property
Tfus	486.51	K	Joback Calculated Property
Vc	1.060	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[801.99; 881.88]	J/mol×K	[762.64; 951.81]
Cp,gas	801.99	J/mol×K	762.64	Joback Calculated Property
Cp,gas	817.58	J/mol×K	794.17	Joback Calculated Property
Cp,gas	832.21	J/mol×K	825.70	Joback Calculated Property
Cp,gas	845.93	J/mol×K	857.22	Joback Calculated Property
Cp,gas	858.76	J/mol×K	888.75	Joback Calculated Property
Cp,gas	870.74	J/mol×K	920.28	Joback Calculated Property
Cp,gas	881.88	J/mol×K	951.81	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 1,1,1-trifluoroprop-2-yl 2,6-dimethylnon-1-en-3-yn-5-yl ester.

Sources

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

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