Chemical Properties of Sebacic acid, 3,5-difluorophenyl pentyl ester

InChI

InChI=1S/C21H30F2O4/c1-2-3-10-13-26-20(24)11-8-6-4-5-7-9-12-21(25)27-19-15-17(22)14-18(23)16-19/h14-16H,2-13H2,1H3

InChI Key

LXZYUAAZFKXDJH-UHFFFAOYSA-N

Formula

C21H30F2O4

SMILES

CCCCCOC(=O)CCCCCCCCC(=O)Oc1cc(F)cc(F)c1

Molecular Weight¹

384.46

• 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	1.0682		Relay (... Calculated Property
ΔfG°	-638.37	kJ/mol	Joback Calculated Property
ΔfH°gas	-1235.10	kJ/mol	Relay (... Calculated Property
ΔfusH°	55.14	kJ/mol	Joback Calculated Property
ΔvapH°	104.27	kJ/mol	Relay (... Calculated Property
IE	8.87	eV	Relay (... Calculated Property
log10WS	-6.56		Relay (... Calculated Property
logPoct/wat	5.724		Crippen Calculated Property
McVol	301.410	ml/mol	McGowan Calculated Property
Pc	1164.04	kPa	Joback Calculated Property
Inp	[2545.00; 2545.00]
Inp	2545.00		NIST
Inp	2545.00		NIST
Tboil	633.03	K	Relay (... Calculated Property
Tc	823.33	K	Relay (... Calculated Property
Tfus	308.04	K	Relay (... Calculated Property
Vc	1.144	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[951.07; 1028.36]	J/mol×K	[867.64; 1064.57]
Cp,gas	951.07	J/mol×K	867.64	Joback Calculated Property
Cp,gas	966.71	J/mol×K	900.46	Joback Calculated Property
Cp,gas	981.22	J/mol×K	933.28	Joback Calculated Property
Cp,gas	994.62	J/mol×K	966.10	Joback Calculated Property
Cp,gas	1006.93	J/mol×K	998.92	Joback Calculated Property
Cp,gas	1018.17	J/mol×K	1031.75	Joback Calculated Property
Cp,gas	1028.36	J/mol×K	1064.57	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, 3,5-difluorophenyl pentyl ester.

Sources

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

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