Chemical Properties of Phthalic acid, 2-methylbenzyl nonyl ester

InChI

InChI=1S/C25H32O4/c1-3-4-5-6-7-8-13-18-28-24(26)22-16-11-12-17-23(22)25(27)29-19-21-15-10-9-14-20(21)2/h9-12,14-17H,3-8,13,18-19H2,1-2H3

InChI Key

IYAJXIOTPDVLHK-UHFFFAOYSA-N

Formula

C25H32O4

SMILES

CCCCCCCCCOC(=O)c1ccccc1C(=O)OCc1ccccc1C

Molecular Weight¹

396.52

• 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	1.0792		Relay (1.0) Calculated Property
ΔfH°gas	-687.83	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	53.38	kJ/mol	Joback Calculated Property
ΔvapH°	118.73	kJ/mol	Relay (1.0) Calculated Property
log10WS	-6.80		Relay (1.0) Calculated Property
logPoct/wat	6.259		Crippen Calculated Property
McVol	330.470	ml/mol	McGowan Calculated Property
Pc	1194.00	kPa	Joback Calculated Property
Inp	[2862.00; 2862.00]
Inp	2862.00		NIST
Inp	2862.00		NIST
Tboil	688.27	K	Relay (1.0) Calculated Property
Tc	935.19	K	Relay (1.0) Calculated Property
Tfus	295.01	K	Relay (1.0) Calculated Property
Vc	1.227	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	[1075.99; 1141.48]	J/mol×K	[987.30; 1212.72]
Cp,gas	1075.99	J/mol×K	987.30	Joback Calculated Property
Cp,gas	1090.36	J/mol×K	1024.87	Joback Calculated Property
Cp,gas	1103.28	J/mol×K	1062.44	Joback Calculated Property
Cp,gas	1114.80	J/mol×K	1100.01	Joback Calculated Property
Cp,gas	1124.97	J/mol×K	1137.58	Joback Calculated Property
Cp,gas	1133.85	J/mol×K	1175.15	Joback Calculated Property
Cp,gas	1141.48	J/mol×K	1212.72	Joback Calculated Property
η	[0.0000281; 0.0002692]	Pa×s	[593.71; 987.30]
η	0.0002692	Pa×s	593.71	Joback Calculated Property
η	0.0001532	Pa×s	659.31	Joback Calculated Property
η	0.0000965	Pa×s	724.91	Joback Calculated Property
η	0.0000657	Pa×s	790.50	Joback Calculated Property
η	0.0000474	Pa×s	856.10	Joback Calculated Property
η	0.0000358	Pa×s	921.70	Joback Calculated Property
η	0.0000281	Pa×s	987.30	Joback Calculated Property

Similar Compounds

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