Chemical Properties of Phthalic acid, 2-methylbenzyl undecyl ester

InChI

InChI=1S/C27H36O4/c1-3-4-5-6-7-8-9-10-15-20-30-26(28)24-18-13-14-19-25(24)27(29)31-21-23-17-12-11-16-22(23)2/h11-14,16-19H,3-10,15,20-21H2,1-2H3

InChI Key

HFKRYQCBGYDZNH-UHFFFAOYSA-N

Formula

C27H36O4

SMILES

CCCCCCCCCCCOC(=O)c1ccccc1C(=O)OCc1ccccc1C

Molecular Weight¹

424.57

• 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	1.1591		Relay (1.0) Calculated Property
ΔfH°gas	-730.71	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	58.56	kJ/mol	Joback Calculated Property
ΔvapH°	126.55	kJ/mol	Relay (1.0) Calculated Property
log10WS	-7.38		Relay (1.0) Calculated Property
logPoct/wat	7.040		Crippen Calculated Property
McVol	358.650	ml/mol	McGowan Calculated Property
Pc	1050.05	kPa	Joback Calculated Property
Inp	[3061.00; 3061.00]
Inp	3061.00		NIST
Inp	3061.00		NIST
Tboil	701.89	K	Relay (1.0) Calculated Property
Tc	947.91	K	Relay (1.0) Calculated Property
Tfus	297.91	K	Relay (1.0) Calculated Property
Vc	1.336	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	[1197.89; 1262.73]	J/mol×K	[1033.06; 1265.06]
Cp,gas	1197.89	J/mol×K	1033.06	Joback Calculated Property
Cp,gas	1212.40	J/mol×K	1071.73	Joback Calculated Property
Cp,gas	1225.34	J/mol×K	1110.39	Joback Calculated Property
Cp,gas	1236.78	J/mol×K	1149.06	Joback Calculated Property
Cp,gas	1246.78	J/mol×K	1187.73	Joback Calculated Property
Cp,gas	1255.41	J/mol×K	1226.39	Joback Calculated Property
Cp,gas	1262.73	J/mol×K	1265.06	Joback Calculated Property
η	[0.0000209; 0.0002136]	Pa×s	[616.25; 1033.06]
η	0.0002136	Pa×s	616.25	Joback Calculated Property
η	0.0001191	Pa×s	685.72	Joback Calculated Property
η	0.0000739	Pa×s	755.19	Joback Calculated Property
η	0.0000497	Pa×s	824.65	Joback Calculated Property
η	0.0000356	Pa×s	894.12	Joback Calculated Property
η	0.0000267	Pa×s	963.59	Joback Calculated Property
η	0.0000209	Pa×s	1033.06	Joback Calculated Property

Similar Compounds

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