Chemical Properties of Phthalic acid, 2,5-difluorobenzyl tridecyl ester

InChI

InChI=1S/C28H36F2O4/c1-2-3-4-5-6-7-8-9-10-11-14-19-33-27(31)24-15-12-13-16-25(24)28(32)34-21-22-20-23(29)17-18-26(22)30/h12-13,15-18,20H,2-11,14,19,21H2,1H3

InChI Key

RXGJLVUCRDLHOF-UHFFFAOYSA-N

Formula

C28H36F2O4

SMILES

CCCCCCCCCCCCCOC(=O)c1ccccc1C(=O)OCc1cc(F)ccc1F

Molecular Weight¹

474.58

• 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°	-476.65	kJ/mol	Joback Calculated Property
ΔfH°gas	-1064.42	kJ/mol	Joback Calculated Property
ΔfusH°	66.93	kJ/mol	Joback Calculated Property
ΔvapH°	101.14	kJ/mol	Joback Calculated Property
log10WS	-9.75		Crippen Calculated Property
logPoct/wat	7.790		Crippen Calculated Property
McVol	376.280	ml/mol	McGowan Calculated Property
Pc	925.55	kPa	Joback Calculated Property
Inp	[3144.00; 3144.00]
Inp	3144.00		NIST
Inp	3144.00		NIST
Tboil	1059.46	K	Joback Calculated Property
Tc	1299.37	K	Joback Calculated Property
Tfus	641.22	K	Joback Calculated Property
Vc	1.472	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1271.36; 1332.53]	J/mol×K	[1059.46; 1299.37]
Cp,gas	1271.36	J/mol×K	1059.46	Joback Calculated Property
Cp,gas	1285.60	J/mol×K	1099.45	Joback Calculated Property
Cp,gas	1298.12	J/mol×K	1139.43	Joback Calculated Property
Cp,gas	1309.01	J/mol×K	1179.42	Joback Calculated Property
Cp,gas	1318.33	J/mol×K	1219.40	Joback Calculated Property
Cp,gas	1326.14	J/mol×K	1259.39	Joback Calculated Property
Cp,gas	1332.53	J/mol×K	1299.37	Joback Calculated Property

Similar Compounds

Find more compounds similar to Phthalic acid, 2,5-difluorobenzyl tridecyl ester.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.