Chemical Properties of Sebacic acid, octyl 2-(pentafluorophenoxy)ethyl ester

InChI

InChI=1S/C26H37F5O5/c1-2-3-4-5-10-13-16-34-19(32)14-11-8-6-7-9-12-15-20(33)35-17-18-36-26-24(30)22(28)21(27)23(29)25(26)31/h2-18H2,1H3

InChI Key

JUUFVOWAHCHQRK-UHFFFAOYSA-N

Formula

C26H37F5O5

SMILES

CCCCCCCCOC(=O)CCCCCCCCC(=O)OCCOc1c(F)c(F)c(F)c(F)c1F

Molecular Weight¹

524.56

• 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°	-1314.59	kJ/mol	Joback Calculated Property
ΔfH°gas	-2003.16	kJ/mol	Joback Calculated Property
ΔfusH°	77.35	kJ/mol	Joback Calculated Property
ΔvapH°	95.69	kJ/mol	Joback Calculated Property
log10WS	-8.93		Crippen Calculated Property
logPoct/wat	7.329		Crippen Calculated Property
McVol	383.040	ml/mol	McGowan Calculated Property
Pc	768.19	kPa	Joback Calculated Property
Inp	[2865.00; 2865.00]
Inp	2865.00		NIST
Inp	2865.00		NIST
Tboil	1017.21	K	Joback Calculated Property
Tc	1267.93	K	Joback Calculated Property
Tfus	641.30	K	Joback Calculated Property
Vc	1.540	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1303.38; 1369.24]	J/mol×K	[1017.21; 1267.93]
Cp,gas	1303.38	J/mol×K	1017.21	Joback Calculated Property
Cp,gas	1320.02	J/mol×K	1059.00	Joback Calculated Property
Cp,gas	1334.37	J/mol×K	1100.78	Joback Calculated Property
Cp,gas	1346.44	J/mol×K	1142.57	Joback Calculated Property
Cp,gas	1356.27	J/mol×K	1184.36	Joback Calculated Property
Cp,gas	1363.86	J/mol×K	1226.14	Joback Calculated Property
Cp,gas	1369.24	J/mol×K	1267.93	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, octyl 2-(pentafluorophenoxy)ethyl ester.

Sources

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

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