Chemical Properties of Succinic acid, 2-chloro-6-fluorobenzyl tetradecyl ester

InChI

InChI=1S/C25H38ClFO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-19-30-24(28)17-18-25(29)31-20-21-22(26)15-14-16-23(21)27/h14-16H,2-13,17-20H2,1H3

InChI Key

TYTVXECXYFEKRA-UHFFFAOYSA-N

Formula

C25H38ClFO4

SMILES

CCCCCCCCCCCCCCOC(=O)CCC(=O)OCc1c(F)cccc1Cl

Molecular Weight¹

457.02

• 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	1.1710		Relay (1.0) Calculated Property
ΔfG°	-421.81	kJ/mol	Joback Calculated Property
ΔfH°gas	-1132.17	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	66.62	kJ/mol	Joback Calculated Property
ΔvapH°	126.81	kJ/mol	Relay (1.0) Calculated Property
IE	8.99	eV	Relay (1.0) Calculated Property
log10WS	-7.74		Relay (1.0) Calculated Property
logPoct/wat	7.547		Crippen Calculated Property
McVol	368.240	ml/mol	McGowan Calculated Property
Pc	914.39	kPa	Joback Calculated Property
Inp	[3104.00; 3104.00]
Inp	3104.00		NIST
Inp	3104.00		NIST
Tboil	679.51	K	Relay (1.0) Calculated Property
Tc	878.82	K	Relay (1.0) Calculated Property
Tfus	332.36	K	Relay (1.0) Calculated Property
Vc	1.381	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1213.69; 1287.06]	J/mol×K	[997.32; 1222.60]
Cp,gas	1213.69	J/mol×K	997.32	Joback Calculated Property
Cp,gas	1229.62	J/mol×K	1034.87	Joback Calculated Property
Cp,gas	1244.01	J/mol×K	1072.41	Joback Calculated Property
Cp,gas	1256.91	J/mol×K	1109.96	Joback Calculated Property
Cp,gas	1268.35	J/mol×K	1147.51	Joback Calculated Property
Cp,gas	1278.38	J/mol×K	1185.05	Joback Calculated Property
Cp,gas	1287.06	J/mol×K	1222.60	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 2-chloro-6-fluorobenzyl tetradecyl ester.

Sources

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

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