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

InChI

InChI=1S/C12H17F3O4/c1-8(2)6-7-18-10(16)4-5-11(17)19-9(3)12(13,14)15/h9H,1,4-7H2,2-3H3

InChI Key

TZBDGRBURWLXSE-UHFFFAOYSA-N

Formula

C12H17F3O4

SMILES

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

Molecular Weight¹

282.26

• 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°	-922.42	kJ/mol	Joback Calculated Property
ΔfH°gas	-1267.33	kJ/mol	Joback Calculated Property
ΔfusH°	28.12	kJ/mol	Joback Calculated Property
ΔvapH°	55.89	kJ/mol	Joback Calculated Property
log10WS	-3.20		Crippen Calculated Property
logPoct/wat	2.770		Crippen Calculated Property
McVol	195.830	ml/mol	McGowan Calculated Property
Pc	1827.85	kPa	Joback Calculated Property
Inp	[1370.00; 1370.00]
Inp	1370.00		NIST
Inp	1370.00		NIST
Tboil	617.24	K	Joback Calculated Property
Tc	790.50	K	Joback Calculated Property
Tfus	342.79	K	Joback Calculated Property
Vc	0.774	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[521.66; 591.54]	J/mol×K	[617.24; 790.50]
Cp,gas	521.66	J/mol×K	617.24	Joback Calculated Property
Cp,gas	534.93	J/mol×K	646.12	Joback Calculated Property
Cp,gas	547.53	J/mol×K	674.99	Joback Calculated Property
Cp,gas	559.48	J/mol×K	703.87	Joback Calculated Property
Cp,gas	570.78	J/mol×K	732.75	Joback Calculated Property
Cp,gas	581.47	J/mol×K	761.63	Joback Calculated Property
Cp,gas	591.54	J/mol×K	790.50	Joback Calculated Property

Similar Compounds

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

Sources

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

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