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

InChI

InChI=1S/C22H31FO4/c1-2-3-4-5-6-7-8-9-10-11-17-26-21(24)15-16-22(25)27-20-14-12-13-19(23)18-20/h10-14,18H,2-9,15-17H2,1H3/b11-10+

InChI Key

VKTUSZJYBARVEA-ZHACJKMWSA-N

Formula

C22H31FO4

SMILES

CCCCCCCCCC=CCOC(=O)CCC(=O)Oc1cccc(F)c1

Molecular Weight¹

378.48

• 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°	-345.29	kJ/mol	Joback Calculated Property
ΔfH°gas	-840.84	kJ/mol	Joback Calculated Property
ΔfusH°	55.24	kJ/mol	Joback Calculated Property
ΔvapH°	84.96	kJ/mol	Joback Calculated Property
log10WS	-6.69		Crippen Calculated Property
logPoct/wat	5.751		Crippen Calculated Property
McVol	309.430	ml/mol	McGowan Calculated Property
Pc	1176.85	kPa	Joback Calculated Property
Inp	[2596.00; 2596.00]
Inp	2596.00		NIST
Inp	2596.00		NIST
Tboil	890.43	K	Joback Calculated Property
Tc	1093.84	K	Joback Calculated Property
Tfus	516.47	K	Joback Calculated Property
Vc	1.206	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[977.21; 1056.00]	J/mol×K	[890.43; 1093.84]
Cp,gas	977.21	J/mol×K	890.43	Joback Calculated Property
Cp,gas	993.01	J/mol×K	924.33	Joback Calculated Property
Cp,gas	1007.69	J/mol×K	958.23	Joback Calculated Property
Cp,gas	1021.29	J/mol×K	992.14	Joback Calculated Property
Cp,gas	1033.84	J/mol×K	1026.04	Joback Calculated Property
Cp,gas	1045.40	J/mol×K	1059.94	Joback Calculated Property
Cp,gas	1056.00	J/mol×K	1093.84	Joback Calculated Property

Similar Compounds

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

Sources

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

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