Chemical Properties of Phthalic acid, 2-methylbenzyl octyl ester

InChI

InChI=1S/C24H30O4/c1-3-4-5-6-7-12-17-27-23(25)21-15-10-11-16-22(21)24(26)28-18-20-14-9-8-13-19(20)2/h8-11,13-16H,3-7,12,17-18H2,1-2H3

InChI Key

DBWCOOPKFJFIJP-UHFFFAOYSA-N

Formula

C24H30O4

SMILES

CCCCCCCCOC(=O)c1ccccc1C(=O)OCc1ccccc1C

Molecular Weight¹

382.50

• 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	1.0385		Relay (1.0) Calculated Property
ΔfH°gas	-665.90	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	50.79	kJ/mol	Joback Calculated Property
ΔvapH°	114.73	kJ/mol	Relay (1.0) Calculated Property
log10WS	-6.49		Relay (1.0) Calculated Property
logPoct/wat	5.869		Crippen Calculated Property
McVol	316.380	ml/mol	McGowan Calculated Property
Pc	1277.33	kPa	Joback Calculated Property
Inp	[2767.00; 2767.00]
Inp	2767.00		NIST
Inp	2767.00		NIST
Tboil	681.41	K	Relay (1.0) Calculated Property
Tc	928.79	K	Relay (1.0) Calculated Property
Tfus	293.80	K	Relay (1.0) Calculated Property
Vc	1.173	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	[1015.71; 1081.47]	J/mol×K	[964.42; 1187.99]
Cp,gas	1015.71	J/mol×K	964.42	Joback Calculated Property
Cp,gas	1030.03	J/mol×K	1001.68	Joback Calculated Property
Cp,gas	1042.95	J/mol×K	1038.94	Joback Calculated Property
Cp,gas	1054.50	J/mol×K	1076.21	Joback Calculated Property
Cp,gas	1064.74	J/mol×K	1113.47	Joback Calculated Property
Cp,gas	1073.72	J/mol×K	1150.73	Joback Calculated Property
Cp,gas	1081.47	J/mol×K	1187.99	Joback Calculated Property
η	[0.0000325; 0.0003008]	Pa×s	[582.44; 964.42]
η	0.0003008	Pa×s	582.44	Joback Calculated Property
η	0.0001730	Pa×s	646.10	Joback Calculated Property
η	0.0001098	Pa×s	709.77	Joback Calculated Property
η	0.0000752	Pa×s	773.43	Joback Calculated Property
η	0.0000545	Pa×s	837.09	Joback Calculated Property
η	0.0000413	Pa×s	900.76	Joback Calculated Property
η	0.0000325	Pa×s	964.42	Joback Calculated Property

Similar Compounds

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