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

InChI

InChI=1S/C28H43F3O4/c1-2-3-4-5-6-9-12-18-23-34-25(32)21-16-10-7-8-11-17-22-26(33)35-27(28(29,30)31)24-19-14-13-15-20-24/h13-15,19-20,27H,2-12,16-18,21-23H2,1H3

InChI Key

KSNNTHAWNWCNOY-UHFFFAOYSA-N

Formula

C28H43F3O4

SMILES

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

Molecular Weight¹

500.63

• 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	1.2056		Relay (1.0) Calculated Property
ΔfG°	-754.58	kJ/mol	Joback Calculated Property
ΔfH°gas	-1636.42	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	66.19	kJ/mol	Joback Calculated Property
ΔvapH°	125.17	kJ/mol	Relay (1.0) Calculated Property
IE	9.41	eV	Relay (1.0) Calculated Property
log10WS	-7.47		Relay (1.0) Calculated Property
logPoct/wat	8.638		Crippen Calculated Property
McVol	401.810	ml/mol	McGowan Calculated Property
Pc	775.48	kPa	Joback Calculated Property
Inp	[2868.00; 2868.00]
Inp	2868.00		NIST
Inp	2868.00		NIST
Tboil	675.28	K	Relay (1.0) Calculated Property
Tc	859.14	K	Relay (1.0) Calculated Property
Tfus	311.48	K	Relay (1.0) Calculated Property
Vc	1.488	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1390.26; 1478.20]	J/mol×K	[1013.44; 1249.15]
Cp,gas	1390.26	J/mol×K	1013.44	Joback Calculated Property
Cp,gas	1408.58	J/mol×K	1052.73	Joback Calculated Property
Cp,gas	1425.28	J/mol×K	1092.01	Joback Calculated Property
Cp,gas	1440.48	J/mol×K	1131.30	Joback Calculated Property
Cp,gas	1454.29	J/mol×K	1170.58	Joback Calculated Property
Cp,gas	1466.83	J/mol×K	1209.87	Joback Calculated Property
Cp,gas	1478.20	J/mol×K	1249.15	Joback Calculated Property

Similar Compounds

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

Sources

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

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