Chemical Properties of Succinic acid, 1-(2-fluorophenyl)ethyl heptyl ester

InChI

InChI=1S/C19H27FO4/c1-3-4-5-6-9-14-23-18(21)12-13-19(22)24-15(2)16-10-7-8-11-17(16)20/h7-8,10-11,15H,3-6,9,12-14H2,1-2H3

InChI Key

SDXBCSZHGZUTRK-UHFFFAOYSA-N

Formula

C19H27FO4

SMILES

CCCCCCCOC(=O)CCC(=O)OC(C)c1ccccc1F

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	0.8703		Relay (1.0) Calculated Property
ΔfG°	-453.21	kJ/mol	Joback Calculated Property
ΔfH°gas	-1027.73	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	43.75	kJ/mol	Joback Calculated Property
ΔvapH°	97.40	kJ/mol	Relay (1.0) Calculated Property
IE	8.84	eV	Relay (1.0) Calculated Property
log10WS	-4.81		Relay (1.0) Calculated Property
logPoct/wat	4.724		Crippen Calculated Property
McVol	271.460	ml/mol	McGowan Calculated Property
Pc	1401.69	kPa	Joback Calculated Property
Inp	[2246.00; 2246.00]
Inp	2246.00		NIST
Inp	2246.00		NIST
Tboil	602.69	K	Relay (1.0) Calculated Property
Tc	803.01	K	Relay (1.0) Calculated Property
Tfus	290.87	K	Relay (1.0) Calculated Property
Vc	1.008	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[827.05; 904.99]	J/mol×K	[817.19; 1014.05]
Cp,gas	827.05	J/mol×K	817.19	Joback Calculated Property
Cp,gas	842.65	J/mol×K	850.00	Joback Calculated Property
Cp,gas	857.18	J/mol×K	882.81	Joback Calculated Property
Cp,gas	870.66	J/mol×K	915.62	Joback Calculated Property
Cp,gas	883.11	J/mol×K	948.43	Joback Calculated Property
Cp,gas	894.55	J/mol×K	981.24	Joback Calculated Property
Cp,gas	904.99	J/mol×K	1014.05	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 1-(2-fluorophenyl)ethyl heptyl ester.

Sources

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

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