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

InChI

InChI=1S/C25H35F5O5/c1-2-3-4-9-12-15-33-18(31)13-10-7-5-6-8-11-14-19(32)34-16-17-35-25-23(29)21(27)20(26)22(28)24(25)30/h2-17H2,1H3

InChI Key

DHVZURLJAGSYNZ-UHFFFAOYSA-N

Formula

C25H35F5O5

SMILES

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

Molecular Weight¹

510.53

• 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°	-1323.01	kJ/mol	Joback Calculated Property
ΔfH°gas	-1982.52	kJ/mol	Joback Calculated Property
ΔfusH°	74.76	kJ/mol	Joback Calculated Property
ΔvapH°	93.47	kJ/mol	Joback Calculated Property
log10WS	-8.51		Crippen Calculated Property
logPoct/wat	6.938		Crippen Calculated Property
McVol	368.950	ml/mol	McGowan Calculated Property
Pc	810.76	kPa	Joback Calculated Property
Inp	[2788.00; 2788.00]
Inp	2788.00		NIST
Inp	2788.00		NIST
Tboil	994.33	K	Joback Calculated Property
Tc	1232.95	K	Joback Calculated Property
Tfus	630.03	K	Joback Calculated Property
Vc	1.484	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1241.83; 1309.06]	J/mol×K	[994.33; 1232.95]
Cp,gas	1241.83	J/mol×K	994.33	Joback Calculated Property
Cp,gas	1258.07	J/mol×K	1034.10	Joback Calculated Property
Cp,gas	1272.28	J/mol×K	1073.87	Joback Calculated Property
Cp,gas	1284.47	J/mol×K	1113.64	Joback Calculated Property
Cp,gas	1294.65	J/mol×K	1153.41	Joback Calculated Property
Cp,gas	1302.85	J/mol×K	1193.18	Joback Calculated Property
Cp,gas	1309.06	J/mol×K	1232.95	Joback Calculated Property

Similar Compounds

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

Sources

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

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