Chemical Properties of Phthalic acid, 2-methoxybenzyl octyl ester

InChI

InChI=1S/C24H30O5/c1-3-4-5-6-7-12-17-28-23(25)20-14-9-10-15-21(20)24(26)29-18-19-13-8-11-16-22(19)27-2/h8-11,13-16H,3-7,12,17-18H2,1-2H3

InChI Key

MVEVWPRKBOHRJZ-UHFFFAOYSA-N

Formula

C24H30O5

SMILES

CCCCCCCCOC(=O)c1ccccc1C(=O)OCc1ccccc1OC

Molecular Weight¹

398.49

• 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	1.0909		Relay (1.0) Calculated Property
ΔfH°gas	-777.89	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	51.98	kJ/mol	Joback Calculated Property
ΔvapH°	117.18	kJ/mol	Relay (1.0) Calculated Property
log10WS	-6.12		Relay (1.0) Calculated Property
logPoct/wat	5.569		Crippen Calculated Property
McVol	322.250	ml/mol	McGowan Calculated Property
Pc	1261.95	kPa	Joback Calculated Property
Inp	[3376.00; 3376.00]
Inp	3376.00		NIST
Inp	3376.00		NIST
Tboil	689.98	K	Relay (1.0) Calculated Property
Tc	933.95	K	Relay (1.0) Calculated Property
Tfus	309.68	K	Relay (1.0) Calculated Property
Vc	1.195	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	[1043.07; 1100.29]	J/mol×K	[986.84; 1212.48]
Cp,gas	1043.07	J/mol×K	986.84	Joback Calculated Property
Cp,gas	1056.42	J/mol×K	1024.45	Joback Calculated Property
Cp,gas	1068.21	J/mol×K	1062.05	Joback Calculated Property
Cp,gas	1078.46	J/mol×K	1099.66	Joback Calculated Property
Cp,gas	1087.20	J/mol×K	1137.27	Joback Calculated Property
Cp,gas	1094.47	J/mol×K	1174.87	Joback Calculated Property
Cp,gas	1100.29	J/mol×K	1212.48	Joback Calculated Property
η	[0.0000241; 0.0002121]	Pa×s	[604.67; 986.84]
η	0.0002121	Pa×s	604.67	Joback Calculated Property
η	0.0001242	Pa×s	668.37	Joback Calculated Property
η	0.0000799	Pa×s	732.06	Joback Calculated Property
η	0.0000551	Pa×s	795.75	Joback Calculated Property
η	0.0000402	Pa×s	859.45	Joback Calculated Property
η	0.0000306	Pa×s	923.14	Joback Calculated Property
η	0.0000241	Pa×s	986.84	Joback Calculated Property

Similar Compounds

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