Chemical Properties of Succinic acid, 1-(2-fluorophenyl)ethyl 2-methylhex-3-yl ester

InChI

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

InChI Key

SYSOZAOBFYGBSY-UHFFFAOYSA-N

Formula

C19H27FO4

SMILES

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

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	0.7776		Relay (1.0) Calculated Property
ΔfG°	-458.09	kJ/mol	Joback Calculated Property
ΔfH°gas	-1040.61	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	36.70	kJ/mol	Joback Calculated Property
ΔvapH°	93.96	kJ/mol	Relay (1.0) Calculated Property
IE	8.86	eV	Relay (1.0) Calculated Property
log10WS	-4.36		Relay (1.0) Calculated Property
logPoct/wat	4.578		Crippen Calculated Property
McVol	271.460	ml/mol	McGowan Calculated Property
Pc	1418.64	kPa	Joback Calculated Property
Inp	[2102.00; 2102.00]
Inp	2102.00		NIST
Inp	2102.00		NIST
Tboil	593.76	K	Relay (1.0) Calculated Property
Tc	791.28	K	Relay (1.0) Calculated Property
Tfus	283.54	K	Relay (1.0) Calculated Property
Vc	0.982	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[828.11; 906.91]	J/mol×K	[816.31; 1017.09]
Cp,gas	828.11	J/mol×K	816.31	Joback Calculated Property
Cp,gas	844.01	J/mol×K	849.77	Joback Calculated Property
Cp,gas	858.77	J/mol×K	883.24	Joback Calculated Property
Cp,gas	872.43	J/mol×K	916.70	Joback Calculated Property
Cp,gas	884.99	J/mol×K	950.16	Joback Calculated Property
Cp,gas	896.48	J/mol×K	983.62	Joback Calculated Property
Cp,gas	906.91	J/mol×K	1017.09	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 1-(2-fluorophenyl)ethyl 2-methylhex-3-yl ester.

Sources

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

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