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

InChI

InChI=1S/C32H51F3O4/c1-2-3-4-5-6-7-8-9-10-13-16-22-27-38-29(36)25-20-14-11-12-15-21-26-30(37)39-31(32(33,34)35)28-23-18-17-19-24-28/h17-19,23-24,31H,2-16,20-22,25-27H2,1H3

InChI Key

DIHHCOZELFEVDZ-UHFFFAOYSA-N

Formula

C32H51F3O4

SMILES

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

Molecular Weight¹

556.74

• 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°	-720.90	kJ/mol	Joback Calculated Property
ΔfH°gas	-1559.24	kJ/mol	Joback Calculated Property
ΔfusH°	76.55	kJ/mol	Joback Calculated Property
ΔvapH°	103.28	kJ/mol	Joback Calculated Property
log10WS	-11.17		Crippen Calculated Property
logPoct/wat	10.198		Crippen Calculated Property
McVol	458.170	ml/mol	McGowan Calculated Property
Pc	632.89	kPa	Joback Calculated Property
Inp	[3155.00; 3155.00]
Inp	3155.00		NIST
Inp	3155.00		NIST
Tboil	1104.96	K	Joback Calculated Property
Tc	1391.00	K	Joback Calculated Property
Tfus	610.33	K	Joback Calculated Property
Vc	1.804	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1645.24; 1743.32]	J/mol×K	[1104.96; 1391.00]
Cp,gas	1645.24	J/mol×K	1104.96	Joback Calculated Property
Cp,gas	1666.31	J/mol×K	1152.63	Joback Calculated Property
Cp,gas	1685.18	J/mol×K	1200.31	Joback Calculated Property
Cp,gas	1702.09	J/mol×K	1247.98	Joback Calculated Property
Cp,gas	1717.26	J/mol×K	1295.65	Joback Calculated Property
Cp,gas	1730.93	J/mol×K	1343.32	Joback Calculated Property
Cp,gas	1743.32	J/mol×K	1391.00	Joback Calculated Property

Similar Compounds

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

Sources

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

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