Chemical Properties of Phthalic acid, decyl 2-methoxybenzyl ester

InChI

InChI=1S/C26H34O5/c1-3-4-5-6-7-8-9-14-19-30-25(27)22-16-11-12-17-23(22)26(28)31-20-21-15-10-13-18-24(21)29-2/h10-13,15-18H,3-9,14,19-20H2,1-2H3

InChI Key

WXVRKHLBKSMDQK-UHFFFAOYSA-N

Formula

C26H34O5

SMILES

CCCCCCCCCCOC(=O)c1ccccc1C(=O)OCc1ccccc1OC

Molecular Weight¹

426.55

• 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	1.1715		Relay (1.0) Calculated Property
ΔfH°gas	-821.03	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	57.16	kJ/mol	Joback Calculated Property
ΔvapH°	125.07	kJ/mol	Relay (1.0) Calculated Property
log10WS	-6.75		Relay (1.0) Calculated Property
logPoct/wat	6.350		Crippen Calculated Property
McVol	350.430	ml/mol	McGowan Calculated Property
Pc	1105.94	kPa	Joback Calculated Property
Inp	[3573.00; 3573.00]
Inp	3573.00		NIST
Inp	3573.00		NIST
Tboil	703.59	K	Relay (1.0) Calculated Property
Tc	946.70	K	Relay (1.0) Calculated Property
Tfus	311.96	K	Relay (1.0) Calculated Property
Vc	1.303	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	[1163.68; 1218.62]	J/mol×K	[1032.60; 1264.59]
Cp,gas	1163.68	J/mol×K	1032.60	Joback Calculated Property
Cp,gas	1176.98	J/mol×K	1071.27	Joback Calculated Property
Cp,gas	1188.57	J/mol×K	1109.93	Joback Calculated Property
Cp,gas	1198.49	J/mol×K	1148.60	Joback Calculated Property
Cp,gas	1206.78	J/mol×K	1187.26	Joback Calculated Property
Cp,gas	1213.47	J/mol×K	1225.93	Joback Calculated Property
Cp,gas	1218.62	J/mol×K	1264.59	Joback Calculated Property
η	[0.0000179; 0.0001683]	Pa×s	[627.21; 1032.60]
η	0.0001683	Pa×s	627.21	Joback Calculated Property
η	0.0000966	Pa×s	694.77	Joback Calculated Property
η	0.0000612	Pa×s	762.34	Joback Calculated Property
η	0.0000417	Pa×s	829.90	Joback Calculated Property
η	0.0000301	Pa×s	897.47	Joback Calculated Property
η	0.0000228	Pa×s	965.03	Joback Calculated Property
η	0.0000179	Pa×s	1032.60	Joback Calculated Property

Similar Compounds

Find more compounds similar to Phthalic acid, decyl 2-methoxybenzyl 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.