Chemical Properties of Phthalic acid, decyl 2-methylbenzyl ester

InChI

InChI=1S/C26H34O4/c1-3-4-5-6-7-8-9-14-19-29-25(27)23-17-12-13-18-24(23)26(28)30-20-22-16-11-10-15-21(22)2/h10-13,15-18H,3-9,14,19-20H2,1-2H3

InChI Key

ZXPJJUNJZKSAOP-UHFFFAOYSA-N

Formula

C26H34O4

SMILES

CCCCCCCCCCOC(=O)c1ccccc1C(=O)OCc1ccccc1C

Molecular Weight¹

410.55

• 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	1.1193		Relay (1.0) Calculated Property
ΔfH°gas	-709.51	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	59.14	kJ/mol	Joback Calculated Property
ΔvapH°	124.18	kJ/mol	Relay (1.0) Calculated Property
log10WS	-7.09		Relay (1.0) Calculated Property
logPoct/wat	6.650		Crippen Calculated Property
McVol	344.560	ml/mol	McGowan Calculated Property
Pc	1059.64	kPa	Joback Calculated Property
Inp	[2962.00; 2962.00]
Inp	2962.00		NIST
Inp	2962.00		NIST
Tboil	695.11	K	Relay (1.0) Calculated Property
Tc	943.64	K	Relay (1.0) Calculated Property
Tfus	291.17	K	Relay (1.0) Calculated Property
Vc	1.283	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	[1123.51; 1188.28]	J/mol×K	[974.24; 1195.88]
Cp,gas	1123.51	J/mol×K	974.24	Joback Calculated Property
Cp,gas	1138.00	J/mol×K	1011.18	Joback Calculated Property
Cp,gas	1150.93	J/mol×K	1048.12	Joback Calculated Property
Cp,gas	1162.37	J/mol×K	1085.06	Joback Calculated Property
Cp,gas	1172.37	J/mol×K	1122.00	Joback Calculated Property
Cp,gas	1180.99	J/mol×K	1158.94	Joback Calculated Property
Cp,gas	1188.28	J/mol×K	1195.88	Joback Calculated Property
η	[0.0000181; 0.0003066]	Pa×s	[545.32; 974.24]
η	0.0003066	Pa×s	545.32	Joback Calculated Property
η	0.0001457	Pa×s	616.81	Joback Calculated Property
η	0.0000808	Pa×s	688.29	Joback Calculated Property
η	0.0000500	Pa×s	759.78	Joback Calculated Property
η	0.0000337	Pa×s	831.27	Joback Calculated Property
η	0.0000241	Pa×s	902.75	Joback Calculated Property
η	0.0000181	Pa×s	974.24	Joback Calculated Property

Similar Compounds

Find more compounds similar to Phthalic acid, decyl 2-methylbenzyl 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.
These property values are available through the Cheméo API. A free account gives you an access key.