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

InChI

InChI=1S/C24H43F3O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-30-22(28)18-19-23(29)31-21(2)24(25,26)27/h21H,3-20H2,1-2H3

InChI Key

HRFQQHIRFGGXGP-UHFFFAOYSA-N

Formula

C24H43F3O4

SMILES

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

Molecular Weight¹

452.59

• 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	1.1521		Relay (1.0) Calculated Property
ΔfG°	-900.67	kJ/mol	Joback Calculated Property
ΔfH°gas	-1784.35	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	61.79	kJ/mol	Joback Calculated Property
ΔvapH°	113.83	kJ/mol	Relay (1.0) Calculated Property
IE	10.27	eV	Relay (1.0) Calculated Property
log10WS	-7.22		Relay (1.0) Calculated Property
logPoct/wat	7.675		Crippen Calculated Property
McVol	369.210	ml/mol	McGowan Calculated Property
Pc	798.89	kPa	Joback Calculated Property
Inp	[2562.00; 2562.00]
Inp	2562.00		NIST
Inp	2562.00		NIST
Tboil	628.80	K	Relay (1.0) Calculated Property
Tc	774.13	K	Relay (1.0) Calculated Property
Tfus	312.61	K	Relay (1.0) Calculated Property
Vc	1.404	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1239.26; 1338.46]	J/mol×K	[895.24; 1099.65]
Cp,gas	1239.26	J/mol×K	895.24	Joback Calculated Property
Cp,gas	1259.04	J/mol×K	929.31	Joback Calculated Property
Cp,gas	1277.45	J/mol×K	963.38	Joback Calculated Property
Cp,gas	1294.54	J/mol×K	997.45	Joback Calculated Property
Cp,gas	1310.37	J/mol×K	1031.51	Joback Calculated Property
Cp,gas	1324.99	J/mol×K	1065.58	Joback Calculated Property
Cp,gas	1338.46	J/mol×K	1099.65	Joback Calculated Property

Similar Compounds

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

Sources

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

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