Chemical Properties of Succinic acid, 1,1,1-trifluoroprop-2-yl dec-9-en-1-yl ester

InChI

InChI=1S/C17H27F3O4/c1-3-4-5-6-7-8-9-10-13-23-15(21)11-12-16(22)24-14(2)17(18,19)20/h3,14H,1,4-13H2,2H3

InChI Key

MRRJMYLQYGYRBD-UHFFFAOYSA-N

Formula

C17H27F3O4

SMILES

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

Molecular Weight¹

352.39

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.8605		Relay (1.0) Calculated Property
ΔfG°	-871.77	kJ/mol	Joback Calculated Property
ΔfH°gas	-1546.90	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	42.38	kJ/mol	Joback Calculated Property
ΔvapH°	86.15	kJ/mol	Relay (1.0) Calculated Property
IE	9.84	eV	Relay (1.0) Calculated Property
log10WS	-4.70		Relay (1.0) Calculated Property
logPoct/wat	4.721		Crippen Calculated Property
McVol	266.280	ml/mol	McGowan Calculated Property
Pc	1253.92	kPa	Joback Calculated Property
Inp	[1900.00; 1900.00]
Inp	1900.00		NIST
Inp	1900.00		NIST
Tboil	571.17	K	Relay (1.0) Calculated Property
Tc	712.17	K	Relay (1.0) Calculated Property
Tfus	281.06	K	Relay (1.0) Calculated Property
Vc	0.976	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[791.39; 872.66]	J/mol×K	[731.76; 904.69]
Cp,gas	791.39	J/mol×K	731.76	Joback Calculated Property
Cp,gas	806.94	J/mol×K	760.58	Joback Calculated Property
Cp,gas	821.66	J/mol×K	789.40	Joback Calculated Property
Cp,gas	835.57	J/mol×K	818.23	Joback Calculated Property
Cp,gas	848.69	J/mol×K	847.05	Joback Calculated Property
Cp,gas	861.04	J/mol×K	875.87	Joback Calculated Property
Cp,gas	872.66	J/mol×K	904.69	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 1,1,1-trifluoroprop-2-yl dec-9-en-1-yl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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