Chemical Properties of Phthalic acid, 2-methylbenzyl tridecyl ester

InChI

InChI=1S/C29H40O4/c1-3-4-5-6-7-8-9-10-11-12-17-22-32-28(30)26-20-15-16-21-27(26)29(31)33-23-25-19-14-13-18-24(25)2/h13-16,18-21H,3-12,17,22-23H2,1-2H3

InChI Key

MSEWIKZOPVOCSX-UHFFFAOYSA-N

Formula

C29H40O4

SMILES

CCCCCCCCCCCCCOC(=O)c1ccccc1C(=O)OCc1ccccc1C

Molecular Weight¹

452.63

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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
ω	1.2362		Relay (1.0) Calculated Property
ΔfH°gas	-773.13	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	63.74	kJ/mol	Joback Calculated Property
ΔvapH°	134.39	kJ/mol	Relay (1.0) Calculated Property
log10WS	-7.94		Relay (1.0) Calculated Property
logPoct/wat	7.820		Crippen Calculated Property
McVol	386.830	ml/mol	McGowan Calculated Property
Pc	930.64	kPa	Joback Calculated Property
Inp	[3265.00; 3265.00]
Inp	3265.00		NIST
Inp	3265.00		NIST
Tboil	715.28	K	Relay (1.0) Calculated Property
Tc	960.11	K	Relay (1.0) Calculated Property
Tfus	301.90	K	Relay (1.0) Calculated Property
Vc	1.444	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1321.30; 1385.41]	J/mol×K	[1078.82; 1321.69]
Cp,gas	1321.30	J/mol×K	1078.82	Joback Calculated Property
Cp,gas	1336.02	J/mol×K	1119.30	Joback Calculated Property
Cp,gas	1349.02	J/mol×K	1159.78	Joback Calculated Property
Cp,gas	1360.37	J/mol×K	1200.26	Joback Calculated Property
Cp,gas	1370.17	J/mol×K	1240.74	Joback Calculated Property
Cp,gas	1378.49	J/mol×K	1281.22	Joback Calculated Property
Cp,gas	1385.41	J/mol×K	1321.69	Joback Calculated Property
η	[0.0000154; 0.0001676]	Pa×s	[638.79; 1078.82]
η	0.0001676	Pa×s	638.79	Joback Calculated Property
η	0.0000917	Pa×s	712.13	Joback Calculated Property
η	0.0000561	Pa×s	785.47	Joback Calculated Property
η	0.0000374	Pa×s	858.81	Joback Calculated Property
η	0.0000265	Pa×s	932.14	Joback Calculated Property
η	0.0000198	Pa×s	1005.48	Joback Calculated Property
η	0.0000154	Pa×s	1078.82	Joback Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• 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.