Chemical Properties of Succinic acid, 1-(2,6-difluorophenyl)ethyl 2-methylhex-3-yl ester

InChI

InChI=1S/C19H26F2O4/c1-5-7-16(12(2)3)25-18(23)11-10-17(22)24-13(4)19-14(20)8-6-9-15(19)21/h6,8-9,12-13,16H,5,7,10-11H2,1-4H3

InChI Key

NLOFJSOJTRXXOT-UHFFFAOYSA-N

Formula

C19H26F2O4

SMILES

CCCC(OC(=O)CCC(=O)OC(C)c1c(F)cccc1F)C(C)C

Molecular Weight¹

356.40

• 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	0.8006		Relay (1.0) Calculated Property
ΔfG°	-662.53	kJ/mol	Joback Calculated Property
ΔfH°gas	-1200.66	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	39.39	kJ/mol	Joback Calculated Property
ΔvapH°	93.42	kJ/mol	Relay (1.0) Calculated Property
IE	8.97	eV	Relay (1.0) Calculated Property
log10WS	-4.81		Relay (1.0) Calculated Property
logPoct/wat	4.717		Crippen Calculated Property
McVol	273.230	ml/mol	McGowan Calculated Property
Pc	1356.63	kPa	Joback Calculated Property
Inp	[2086.00; 2086.00]
Inp	2086.00		NIST
Inp	2086.00		NIST
Tboil	596.81	K	Relay (1.0) Calculated Property
Tc	786.38	K	Relay (1.0) Calculated Property
Tfus	293.05	K	Relay (1.0) Calculated Property
Vc	0.994	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[834.88; 911.00]	J/mol×K	[820.56; 1017.56]
Cp,gas	834.88	J/mol×K	820.56	Joback Calculated Property
Cp,gas	850.23	J/mol×K	853.39	Joback Calculated Property
Cp,gas	864.50	J/mol×K	886.23	Joback Calculated Property
Cp,gas	877.69	J/mol×K	919.06	Joback Calculated Property
Cp,gas	889.83	J/mol×K	951.89	Joback Calculated Property
Cp,gas	900.93	J/mol×K	984.72	Joback Calculated Property
Cp,gas	911.00	J/mol×K	1017.56	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 1-(2,6-difluorophenyl)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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