Chemical Properties of Succinic acid, dodecyl 2-(trifluoromethyl)benzyl ester

InChI

InChI=1S/C24H35F3O4/c1-2-3-4-5-6-7-8-9-10-13-18-30-22(28)16-17-23(29)31-19-20-14-11-12-15-21(20)24(25,26)27/h11-12,14-15H,2-10,13,16-19H2,1H3

InChI Key

CEJYBXRUDHZRAM-UHFFFAOYSA-N

Formula

C24H35F3O4

SMILES

CCCCCCCCCCCCOC(=O)CCC(=O)OCc1ccccc1C(F)(F)F

Molecular Weight¹

444.53

• 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°	-795.45	kJ/mol	Joback Calculated Property
ΔfH°gas	-1400.31	kJ/mol	Joback Calculated Property
ΔfusH°	58.97	kJ/mol	Joback Calculated Property
ΔvapH°	86.52	kJ/mol	Joback Calculated Property
log10WS	-7.88		Crippen Calculated Property
logPoct/wat	6.993		Crippen Calculated Property
McVol	345.450	ml/mol	McGowan Calculated Property
Pc	958.51	kPa	Joback Calculated Property
Inp	[2716.00; 2716.00]
Inp	2716.00		NIST
Inp	2716.00		NIST
Tboil	927.34	K	Joback Calculated Property
Tc	1135.40	K	Joback Calculated Property
Tfus	547.69	K	Joback Calculated Property
Vc	1.363	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1140.63; 1221.57]	J/mol×K	[927.34; 1135.40]
Cp,gas	1140.63	J/mol×K	927.34	Joback Calculated Property
Cp,gas	1157.09	J/mol×K	962.02	Joback Calculated Property
Cp,gas	1172.28	J/mol×K	996.69	Joback Calculated Property
Cp,gas	1186.27	J/mol×K	1031.37	Joback Calculated Property
Cp,gas	1199.10	J/mol×K	1066.04	Joback Calculated Property
Cp,gas	1210.85	J/mol×K	1100.72	Joback Calculated Property
Cp,gas	1221.57	J/mol×K	1135.40	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, dodecyl 2-(trifluoromethyl)benzyl ester.

Sources

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

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