Chemical Properties of Succinic acid, 2-fluorophenethyl heptyl ester

InChI

InChI=1S/C19H27FO4/c1-2-3-4-5-8-14-23-18(21)11-12-19(22)24-15-13-16-9-6-7-10-17(16)20/h6-7,9-10H,2-5,8,11-15H2,1H3

InChI Key

CBWXALRGXVQBLZ-UHFFFAOYSA-N

Formula

C19H27FO4

SMILES

CCCCCCCOC(=O)CCC(=O)OCCc1ccccc1F

Molecular Weight¹

338.41

• 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	0.9264		Relay (1.0) Calculated Property
ΔfG°	-450.77	kJ/mol	Joback Calculated Property
ΔfH°gas	-1008.60	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	47.27	kJ/mol	Joback Calculated Property
ΔvapH°	101.70	kJ/mol	Relay (1.0) Calculated Property
IE	8.74	eV	Relay (1.0) Calculated Property
log10WS	-5.06		Relay (1.0) Calculated Property
logPoct/wat	4.205		Crippen Calculated Property
McVol	271.460	ml/mol	McGowan Calculated Property
Pc	1393.33	kPa	Joback Calculated Property
Inp	[2335.00; 2335.00]
Inp	2335.00		NIST
Inp	2335.00		NIST
Tboil	631.05	K	Relay (1.0) Calculated Property
Tc	811.20	K	Relay (1.0) Calculated Property
Tfus	289.86	K	Relay (1.0) Calculated Property
Vc	1.018	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[826.52; 904.08]	J/mol×K	[817.63; 1012.75]
Cp,gas	826.52	J/mol×K	817.63	Joback Calculated Property
Cp,gas	841.99	J/mol×K	850.15	Joback Calculated Property
Cp,gas	856.41	J/mol×K	882.67	Joback Calculated Property
Cp,gas	869.82	J/mol×K	915.19	Joback Calculated Property
Cp,gas	882.22	J/mol×K	947.71	Joback Calculated Property
Cp,gas	893.63	J/mol×K	980.23	Joback Calculated Property
Cp,gas	904.08	J/mol×K	1012.75	Joback Calculated Property

Similar Compounds

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

Sources

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

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