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

InChI

InChI=1S/C19H23F5O4/c1-5-6-11(9(2)3)28-13(26)8-7-12(25)27-10(4)14-15(20)17(22)19(24)18(23)16(14)21/h9-11H,5-8H2,1-4H3

InChI Key

CBQNEOVMLLYTJW-UHFFFAOYSA-N

Formula

C19H23F5O4

SMILES

CCCC(OC(=O)CCC(=O)OC(C)c1c(F)c(F)c(F)c(F)c1F)C(C)C

Molecular Weight¹

410.38

• 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	0.8601		Relay (1.0) Calculated Property
ΔfG°	-1275.85	kJ/mol	Joback Calculated Property
ΔfH°gas	-1648.49	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	47.47	kJ/mol	Joback Calculated Property
ΔvapH°	91.16	kJ/mol	Relay (1.0) Calculated Property
IE	9.27	eV	Relay (1.0) Calculated Property
log10WS	-6.28		Relay (1.0) Calculated Property
logPoct/wat	5.134		Crippen Calculated Property
McVol	278.540	ml/mol	McGowan Calculated Property
Pc	1193.17	kPa	Joback Calculated Property
Inp	[1956.00; 1956.00]
Inp	1956.00		NIST
Inp	1956.00		NIST
Tboil	580.88	K	Relay (1.0) Calculated Property
Tc	757.52	K	Relay (1.0) Calculated Property
Tfus	299.53	K	Relay (1.0) Calculated Property
Vc	1.022	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[854.88; 924.46]	J/mol×K	[833.31; 1023.39]
Cp,gas	854.88	J/mol×K	833.31	Joback Calculated Property
Cp,gas	868.98	J/mol×K	864.99	Joback Calculated Property
Cp,gas	882.07	J/mol×K	896.67	Joback Calculated Property
Cp,gas	894.16	J/mol×K	928.35	Joback Calculated Property
Cp,gas	905.25	J/mol×K	960.03	Joback Calculated Property
Cp,gas	915.35	J/mol×K	991.71	Joback Calculated Property
Cp,gas	924.46	J/mol×K	1023.39	Joback Calculated Property

Similar Compounds

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

Sources

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

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