Chemical Properties of Sebacic acid, heptyl 1-phenyl-2,2,2-trifluoromethylethyl ester

InChI

InChI=1S/C25H37F3O4/c1-2-3-4-9-15-20-31-22(29)18-13-7-5-6-8-14-19-23(30)32-24(25(26,27)28)21-16-11-10-12-17-21/h10-12,16-17,24H,2-9,13-15,18-20H2,1H3

InChI Key

FPHQCWAHZJCNHI-UHFFFAOYSA-N

Formula

C25H37F3O4

SMILES

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

Molecular Weight¹

458.55

• 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).
• 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
ΔfG°	-779.84	kJ/mol	Joback Calculated Property
ΔfH°gas	-1414.76	kJ/mol	Joback Calculated Property
ΔfusH°	58.42	kJ/mol	Joback Calculated Property
ΔvapH°	87.70	kJ/mol	Joback Calculated Property
log10WS	-8.24		Crippen Calculated Property
logPoct/wat	7.468		Crippen Calculated Property
McVol	359.540	ml/mol	McGowan Calculated Property
Pc	916.61	kPa	Joback Calculated Property
Inp	[2593.00; 2593.00]
Inp	2593.00		NIST
Inp	2593.00		NIST
Tboil	944.80	K	Joback Calculated Property
Tc	1157.13	K	Joback Calculated Property
Tfus	531.44	K	Joback Calculated Property
Vc	1.413	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1203.09; 1285.86]	J/mol×K	[944.80; 1157.13]
Cp,gas	1203.09	J/mol×K	944.80	Joback Calculated Property
Cp,gas	1219.97	J/mol×K	980.19	Joback Calculated Property
Cp,gas	1235.52	J/mol×K	1015.58	Joback Calculated Property
Cp,gas	1249.81	J/mol×K	1050.97	Joback Calculated Property
Cp,gas	1262.92	J/mol×K	1086.36	Joback Calculated Property
Cp,gas	1274.91	J/mol×K	1121.75	Joback Calculated Property
Cp,gas	1285.86	J/mol×K	1157.13	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, heptyl 1-phenyl-2,2,2-trifluoromethylethyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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