Chemical Properties of Succinic acid, 2-chloro-6-fluorophenyl 2,4,4-trimethylpentyl ester

InChI

InChI=1S/C18H24ClFO4/c1-12(10-18(2,3)4)11-23-15(21)8-9-16(22)24-17-13(19)6-5-7-14(17)20/h5-7,12H,8-11H2,1-4H3

InChI Key

RYYFARZZBWEENM-UHFFFAOYSA-N

Formula

C18H24ClFO4

SMILES

CC(COC(=O)CCC(=O)Oc1c(F)cccc1Cl)CC(C)(C)C

Molecular Weight¹

358.83

• 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	0.8081		Relay (1.0) Calculated Property
ΔfG°	-480.35	kJ/mol	Joback Calculated Property
ΔfH°gas	-1011.52	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	37.55	kJ/mol	Joback Calculated Property
ΔvapH°	91.53	kJ/mol	Relay (1.0) Calculated Property
IE	8.78	eV	Relay (1.0) Calculated Property
log10WS	-5.69		Relay (1.0) Calculated Property
logPoct/wat	4.780		Crippen Calculated Property
McVol	269.610	ml/mol	McGowan Calculated Property
Pc	1470.23	kPa	Joback Calculated Property
Inp	[2191.00; 2191.00]
Inp	2191.00		NIST
Inp	2191.00		NIST
Tboil	602.09	K	Relay (1.0) Calculated Property
Tc	821.38	K	Relay (1.0) Calculated Property
Tfus	338.13	K	Relay (1.0) Calculated Property
Vc	0.972	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[796.72; 866.92]	J/mol×K	[833.49; 1041.55]
Cp,gas	796.72	J/mol×K	833.49	Joback Calculated Property
Cp,gas	811.00	J/mol×K	868.17	Joback Calculated Property
Cp,gas	824.20	J/mol×K	902.84	Joback Calculated Property
Cp,gas	836.36	J/mol×K	937.52	Joback Calculated Property
Cp,gas	847.51	J/mol×K	972.19	Joback Calculated Property
Cp,gas	857.68	J/mol×K	1006.87	Joback Calculated Property
Cp,gas	866.92	J/mol×K	1041.55	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 2-chloro-6-fluorophenyl 2,4,4-trimethylpentyl ester.

Sources

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

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