Chemical Properties of Succinic acid, 1,1,1-trifluoroprop-2-yl 3-methoxyphenyl ester

InChI

InChI=1S/C14H15F3O5/c1-9(14(15,16)17)21-12(18)6-7-13(19)22-11-5-3-4-10(8-11)20-2/h3-5,8-9H,6-7H2,1-2H3

InChI Key

SSJVXYHCGLKIMS-UHFFFAOYSA-N

Formula

C14H15F3O5

SMILES

COc1cccc(OC(=O)CCC(=O)OC(C)C(F)(F)F)c1

Molecular Weight¹

320.26

• 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	0.7720		Relay (1.0) Calculated Property
ΔfG°	-987.09	kJ/mol	Joback Calculated Property
ΔfH°gas	-1490.60	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	30.73	kJ/mol	Joback Calculated Property
ΔvapH°	82.46	kJ/mol	Relay (1.0) Calculated Property
IE	8.68	eV	Relay (1.0) Calculated Property
log10WS	-3.61		Relay (1.0) Calculated Property
logPoct/wat	2.875		Crippen Calculated Property
McVol	210.420	ml/mol	McGowan Calculated Property
Pc	1925.36	kPa	Joback Calculated Property
Inp	[1828.00; 1828.00]
Inp	1828.00		NIST
Inp	1828.00		NIST
Tboil	574.92	K	Relay (1.0) Calculated Property
Tc	747.86	K	Relay (1.0) Calculated Property
Tfus	319.94	K	Relay (1.0) Calculated Property
Vc	0.765	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[593.23; 657.98]	J/mol×K	[720.52; 915.39]
Cp,gas	593.23	J/mol×K	720.52	Joback Calculated Property
Cp,gas	606.18	J/mol×K	753.00	Joback Calculated Property
Cp,gas	618.24	J/mol×K	785.48	Joback Calculated Property
Cp,gas	629.44	J/mol×K	817.95	Joback Calculated Property
Cp,gas	639.79	J/mol×K	850.43	Joback Calculated Property
Cp,gas	649.30	J/mol×K	882.91	Joback Calculated Property
Cp,gas	657.98	J/mol×K	915.39	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 1,1,1-trifluoroprop-2-yl 3-methoxyphenyl ester.

Sources

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

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