Chemical Properties of Succinic acid, dodec-2-en-1-yl pentafluorobenzyl ester

InChI

InChI=1S/C23H29F5O4/c1-2-3-4-5-6-7-8-9-10-11-14-31-17(29)12-13-18(30)32-15-16-19(24)21(26)23(28)22(27)20(16)25/h10-11H,2-9,12-15H2,1H3/b11-10+

InChI Key

ADVARIWMOSRTDA-ZHACJKMWSA-N

Formula

C23H29F5O4

SMILES

CCCCCCCCCC=CCOC(=O)CCC(=O)OCc1c(F)c(F)c(F)c(F)c1F

Molecular Weight¹

464.47

• 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°	-1154.63	kJ/mol	Joback Calculated Property
ΔfH°gas	-1691.80	kJ/mol	Joback Calculated Property
ΔfusH°	68.60	kJ/mol	Joback Calculated Property
ΔvapH°	86.56	kJ/mol	Joback Calculated Property
log10WS	-8.29		Crippen Calculated Property
logPoct/wat	6.446		Crippen Calculated Property
McVol	330.600	ml/mol	McGowan Calculated Property
Pc	946.16	kPa	Joback Calculated Property
Inp	[2640.00; 2640.00]
Inp	2640.00		NIST
Inp	2640.00		NIST
Tboil	930.31	K	Joback Calculated Property
Tc	1140.68	K	Joback Calculated Property
Tfus	580.18	K	Joback Calculated Property
Vc	1.333	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1062.86; 1136.38]	J/mol×K	[930.31; 1140.68]
Cp,gas	1062.86	J/mol×K	930.31	Joback Calculated Property
Cp,gas	1078.14	J/mol×K	965.37	Joback Calculated Property
Cp,gas	1092.17	J/mol×K	1000.43	Joback Calculated Property
Cp,gas	1104.98	J/mol×K	1035.50	Joback Calculated Property
Cp,gas	1116.60	J/mol×K	1070.56	Joback Calculated Property
Cp,gas	1127.06	J/mol×K	1105.62	Joback Calculated Property
Cp,gas	1136.38	J/mol×K	1140.68	Joback Calculated Property

Similar Compounds

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

Sources

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

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