Chemical Properties of Succinic acid, 2-fluorophenethyl octyl ester

InChI

InChI=1S/C20H29FO4/c1-2-3-4-5-6-9-15-24-19(22)12-13-20(23)25-16-14-17-10-7-8-11-18(17)21/h7-8,10-11H,2-6,9,12-16H2,1H3

InChI Key

VYPUZCLNUCMXAW-UHFFFAOYSA-N

Formula

C20H29FO4

SMILES

CCCCCCCCOC(=O)CCC(=O)OCCc1ccccc1F

Molecular Weight¹

352.44

• 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	0.9641		Relay (1.0) Calculated Property
ΔfG°	-442.35	kJ/mol	Joback Calculated Property
ΔfH°gas	-1026.89	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	49.86	kJ/mol	Joback Calculated Property
ΔvapH°	105.17	kJ/mol	Relay (1.0) Calculated Property
IE	8.77	eV	Relay (1.0) Calculated Property
log10WS	-5.41		Relay (1.0) Calculated Property
logPoct/wat	4.595		Crippen Calculated Property
McVol	285.550	ml/mol	McGowan Calculated Property
Pc	1298.60	kPa	Joback Calculated Property
Inp	[2434.00; 2434.00]
Inp	2434.00		NIST
Inp	2434.00		NIST
Tboil	638.27	K	Relay (1.0) Calculated Property
Tc	819.54	K	Relay (1.0) Calculated Property
Tfus	294.25	K	Relay (1.0) Calculated Property
Vc	1.072	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[885.09; 963.58]	J/mol×K	[840.51; 1036.82]
Cp,gas	885.09	J/mol×K	840.51	Joback Calculated Property
Cp,gas	900.82	J/mol×K	873.23	Joback Calculated Property
Cp,gas	915.47	J/mol×K	905.95	Joback Calculated Property
Cp,gas	929.04	J/mol×K	938.67	Joback Calculated Property
Cp,gas	941.57	J/mol×K	971.38	Joback Calculated Property
Cp,gas	953.08	J/mol×K	1004.10	Joback Calculated Property
Cp,gas	963.58	J/mol×K	1036.82	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 2-fluorophenethyl octyl ester.

Sources

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

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