Chemical Properties of Succinic acid, 2-methylhex-3-yl 3,4,5-trifluorobenzyl ester

InChI

InChI=1S/C18H23F3O4/c1-4-5-15(11(2)3)25-17(23)7-6-16(22)24-10-12-8-13(19)18(21)14(20)9-12/h8-9,11,15H,4-7,10H2,1-3H3

InChI Key

LFVHUGBXJGZEDN-UHFFFAOYSA-N

Formula

C18H23F3O4

SMILES

CCCC(OC(=O)CCC(=O)OCc1cc(F)c(F)c(F)c1)C(C)C

Molecular Weight¹

360.37

• 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	0.8409		Relay (1.0) Calculated Property
ΔfG°	-872.95	kJ/mol	Joback Calculated Property
ΔfH°gas	-1317.82	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	43.02	kJ/mol	Joback Calculated Property
ΔvapH°	89.82	kJ/mol	Relay (1.0) Calculated Property
IE	9.06	eV	Relay (1.0) Calculated Property
log10WS	-5.35		Relay (1.0) Calculated Property
logPoct/wat	4.295		Crippen Calculated Property
McVol	260.910	ml/mol	McGowan Calculated Property
Pc	1385.05	kPa	Joback Calculated Property
Inp	[2043.00; 2043.00]
Inp	2043.00		NIST
Inp	2043.00		NIST
Tboil	588.82	K	Relay (1.0) Calculated Property
Tc	767.30	K	Relay (1.0) Calculated Property
Tfus	266.87	K	Relay (1.0) Calculated Property
Vc	0.950	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[783.45; 855.82]	J/mol×K	[802.37; 993.63]
Cp,gas	783.45	J/mol×K	802.37	Joback Calculated Property
Cp,gas	797.91	J/mol×K	834.25	Joback Calculated Property
Cp,gas	811.40	J/mol×K	866.12	Joback Calculated Property
Cp,gas	823.92	J/mol×K	898.00	Joback Calculated Property
Cp,gas	835.50	J/mol×K	929.88	Joback Calculated Property
Cp,gas	846.13	J/mol×K	961.75	Joback Calculated Property
Cp,gas	855.82	J/mol×K	993.63	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 2-methylhex-3-yl 3,4,5-trifluorobenzyl ester.

Sources

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

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