Chemical Properties of Glutaric acid, dodecyl 2-fluoro-6-(trifluoromethyl)benzyl ester

InChI

InChI=1S/C25H36F4O4/c1-2-3-4-5-6-7-8-9-10-11-18-32-23(30)16-13-17-24(31)33-19-20-21(25(27,28)29)14-12-15-22(20)26/h12,14-15H,2-11,13,16-19H2,1H3

InChI Key

DHPBLOIONLJCDV-UHFFFAOYSA-N

Formula

C25H36F4O4

SMILES

CCCCCCCCCCCCOC(=O)CCCC(=O)OCc1c(F)cccc1C(F)(F)F

Molecular Weight¹

476.54

• 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	1.1558		Relay (1.0) Calculated Property
ΔfG°	-991.47	kJ/mol	Joback Calculated Property
ΔfH°gas	-1740.17	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	64.25	kJ/mol	Joback Calculated Property
ΔvapH°	115.58	kJ/mol	Relay (1.0) Calculated Property
IE	9.13	eV	Relay (1.0) Calculated Property
log10WS	-7.36		Relay (1.0) Calculated Property
logPoct/wat	7.522		Crippen Calculated Property
McVol	361.310	ml/mol	McGowan Calculated Property
Pc	872.22	kPa	Joback Calculated Property
Inp	[3067.00; 3067.00]
Inp	3067.00		NIST
Inp	3067.00		NIST
Tboil	676.00	K	Relay (1.0) Calculated Property
Tc	842.43	K	Relay (1.0) Calculated Property
Tfus	326.22	K	Relay (1.0) Calculated Property
Vc	1.353	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1208.38; 1289.47]	J/mol×K	[954.47; 1171.23]
Cp,gas	1208.38	J/mol×K	954.47	Joback Calculated Property
Cp,gas	1225.15	J/mol×K	990.60	Joback Calculated Property
Cp,gas	1240.53	J/mol×K	1026.72	Joback Calculated Property
Cp,gas	1254.59	J/mol×K	1062.85	Joback Calculated Property
Cp,gas	1267.39	J/mol×K	1098.97	Joback Calculated Property
Cp,gas	1278.99	J/mol×K	1135.10	Joback Calculated Property
Cp,gas	1289.47	J/mol×K	1171.23	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, dodecyl 2-fluoro-6-(trifluoromethyl)benzyl ester.

Sources

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

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