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

InChI

InChI=1S/C19H23F5O5/c1-4-5-11(10(2)3)29-13(26)7-6-12(25)27-8-9-28-19-17(23)15(21)14(20)16(22)18(19)24/h10-11H,4-9H2,1-3H3

InChI Key

WVAIWHMUHADCMX-UHFFFAOYSA-N

Formula

C19H23F5O5

SMILES

CCCC(OC(=O)CCC(=O)OCCOc1c(F)c(F)c(F)c(F)c1F)C(C)C

Molecular Weight¹

426.37

• 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	0.9632		Relay (1.0) Calculated Property
ΔfG°	-1378.41	kJ/mol	Joback Calculated Property
ΔfH°gas	-1738.27	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	52.18	kJ/mol	Joback Calculated Property
ΔvapH°	97.49	kJ/mol	Relay (1.0) Calculated Property
IE	9.06	eV	Relay (1.0) Calculated Property
log10WS	-6.29		Relay (1.0) Calculated Property
logPoct/wat	4.452		Crippen Calculated Property
McVol	284.410	ml/mol	McGowan Calculated Property
Pc	1172.83	kPa	Joback Calculated Property
Inp	[2187.00; 2187.00]
Inp	2187.00		NIST
Inp	2187.00		NIST
Tboil	605.40	K	Relay (1.0) Calculated Property
Tc	771.53	K	Relay (1.0) Calculated Property
Tfus	299.53	K	Relay (1.0) Calculated Property
Vc	1.048	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[882.79; 948.78]	J/mol×K	[856.17; 1049.08]
Cp,gas	882.79	J/mol×K	856.17	Joback Calculated Property
Cp,gas	896.55	J/mol×K	888.32	Joback Calculated Property
Cp,gas	909.22	J/mol×K	920.47	Joback Calculated Property
Cp,gas	920.78	J/mol×K	952.63	Joback Calculated Property
Cp,gas	931.24	J/mol×K	984.78	Joback Calculated Property
Cp,gas	940.57	J/mol×K	1016.93	Joback Calculated Property
Cp,gas	948.78	J/mol×K	1049.08	Joback Calculated Property

Similar Compounds

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

Sources

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

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