Chemical Properties of Succinic acid, dodec-2-en-1-yl 2,3,4-trifluorophenyl ester

InChI

InChI=1S/C22H29F3O4/c1-2-3-4-5-6-7-8-9-10-11-16-28-19(26)14-15-20(27)29-18-13-12-17(23)21(24)22(18)25/h10-13H,2-9,14-16H2,1H3/b11-10+

InChI Key

RIUDNWPCYWCJBJ-ZHACJKMWSA-N

Formula

C22H29F3O4

SMILES

CCCCCCCCCC=CCOC(=O)CCC(=O)Oc1ccc(F)c(F)c1F

Molecular Weight¹

414.46

• 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°	-754.17	kJ/mol	Joback Calculated Property
ΔfH°gas	-1256.00	kJ/mol	Joback Calculated Property
ΔfusH°	60.63	kJ/mol	Joback Calculated Property
ΔvapH°	84.65	kJ/mol	Joback Calculated Property
log10WS	-7.36		Crippen Calculated Property
logPoct/wat	6.030		Crippen Calculated Property
McVol	312.970	ml/mol	McGowan Calculated Property
Pc	1085.63	kPa	Joback Calculated Property
Inp	[2603.00; 2603.00]
Inp	2603.00		NIST
Inp	2603.00		NIST
Tboil	898.93	K	Joback Calculated Property
Tc	1100.99	K	Joback Calculated Property
Tfus	542.69	K	Joback Calculated Property
Vc	1.242	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[990.10; 1065.12]	J/mol×K	[898.93; 1100.99]
Cp,gas	990.10	J/mol×K	898.93	Joback Calculated Property
Cp,gas	1005.28	J/mol×K	932.61	Joback Calculated Property
Cp,gas	1019.35	J/mol×K	966.28	Joback Calculated Property
Cp,gas	1032.34	J/mol×K	999.96	Joback Calculated Property
Cp,gas	1044.27	J/mol×K	1033.64	Joback Calculated Property
Cp,gas	1055.19	J/mol×K	1067.31	Joback Calculated Property
Cp,gas	1065.12	J/mol×K	1100.99	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, dodec-2-en-1-yl 2,3,4-trifluorophenyl ester.

Sources

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

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