Chemical Properties of Succinic acid, heptyl 1-phenyl-2,2,2-trifluoroethyl ester

InChI

InChI=1S/C19H25F3O4/c1-2-3-4-5-9-14-25-16(23)12-13-17(24)26-18(19(20,21)22)15-10-7-6-8-11-15/h6-8,10-11,18H,2-5,9,12-14H2,1H3

InChI Key

MAAHYWYPPRHNLT-UHFFFAOYSA-N

Formula

C19H25F3O4

SMILES

CCCCCCCOC(=O)CCC(=O)OC(c1ccccc1)C(F)(F)F

Molecular Weight¹

374.39

• 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	0.8626		Relay (1.0) Calculated Property
ΔfG°	-830.36	kJ/mol	Joback Calculated Property
ΔfH°gas	-1460.14	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	42.88	kJ/mol	Joback Calculated Property
ΔvapH°	93.70	kJ/mol	Relay (1.0) Calculated Property
IE	9.29	eV	Relay (1.0) Calculated Property
log10WS	-5.13		Relay (1.0) Calculated Property
logPoct/wat	5.127		Crippen Calculated Property
McVol	275.000	ml/mol	McGowan Calculated Property
Pc	1344.71	kPa	Joback Calculated Property
Inp	[2093.00; 2093.00]
Inp	2093.00		NIST
Inp	2093.00		NIST
Tboil	601.72	K	Relay (1.0) Calculated Property
Tc	781.77	K	Relay (1.0) Calculated Property
Tfus	290.42	K	Relay (1.0) Calculated Property
Vc	1.004	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[844.07; 919.25]	J/mol×K	[807.52; 999.89]
Cp,gas	844.07	J/mol×K	807.52	Joback Calculated Property
Cp,gas	859.03	J/mol×K	839.58	Joback Calculated Property
Cp,gas	872.97	J/mol×K	871.64	Joback Calculated Property
Cp,gas	885.93	J/mol×K	903.70	Joback Calculated Property
Cp,gas	897.93	J/mol×K	935.77	Joback Calculated Property
Cp,gas	909.03	J/mol×K	967.83	Joback Calculated Property
Cp,gas	919.25	J/mol×K	999.89	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, heptyl 1-phenyl-2,2,2-trifluoroethyl ester.

Sources

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

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