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°	55.15	kJ/mol	Joback Calculated Property
ΔvapH°	118.64	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	1191.52	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	935.73	K	Relay (1.0) Calculated Property
Tfus	304.01	K	Relay (1.0) Calculated Property
Vc	1.196	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	[1031.25; 1089.48]	J/mol×K	[950.90; 1170.66]
Cp,gas	1031.25	J/mol×K	950.90	Joback Calculated Property
Cp,gas	1044.84	J/mol×K	987.53	Joback Calculated Property
Cp,gas	1056.83	J/mol×K	1024.15	Joback Calculated Property
Cp,gas	1067.25	J/mol×K	1060.78	Joback Calculated Property
Cp,gas	1076.15	J/mol×K	1097.41	Joback Calculated Property
Cp,gas	1083.55	J/mol×K	1134.03	Joback Calculated Property
Cp,gas	1089.48	J/mol×K	1170.66	Joback Calculated Property
η	[0.0000182; 0.0002677]	Pa×s	[545.01; 950.90]
η	0.0002677	Pa×s	545.01	Joback Calculated Property
η	0.0001335	Pa×s	612.66	Joback Calculated Property
η	0.0000764	Pa×s	680.31	Joback Calculated Property
η	0.0000484	Pa×s	747.95	Joback Calculated Property
η	0.0000331	Pa×s	815.60	Joback Calculated Property
η	0.0000239	Pa×s	883.25	Joback Calculated Property
η	0.0000182	Pa×s	950.90	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

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