Chemical Properties of Methyl undecyl phthalate (CAS 70794-29-5)

InChI

InChI=1S/C20H30O4/c1-3-4-5-6-7-8-9-10-13-16-24-20(22)18-15-12-11-14-17(18)19(21)23-2/h11-12,14-15H,3-10,13,16H2,1-2H3

InChI Key

JVRIDSPDECQZNO-UHFFFAOYSA-N

Formula

C20H30O4

SMILES

CCCCCCCCCCCOC(=O)c1ccccc1C(=O)OC

Molecular Weight¹

334.45

CAS

70794-29-5

Other Names

• 1,2-Benzenedicarboxylic acid, undecyl methyl ester
• Phthalic acid, methyl undecyl ester

• 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).
• IE : Ionization energy (eV).
• 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	1.0059		Relay (1.0) Calculated Property
ΔfH°gas	-807.84	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	49.95	kJ/mol	Joback Calculated Property
ΔvapH°	104.20	kJ/mol	Relay (1.0) Calculated Property
IE	9.25	eV	Relay (1.0) Calculated Property
log10WS	-6.02		Relay (1.0) Calculated Property
logPoct/wat	5.161		Crippen Calculated Property
McVol	283.780	ml/mol	McGowan Calculated Property
Pc	1264.65	kPa	Joback Calculated Property
Inp	[2389.00; 2450.00]
Inp	2389.00		NIST
Inp	2450.00		NIST
Tboil	627.72	K	Relay (1.0) Calculated Property
Tc	838.31	K	Relay (1.0) Calculated Property
Tfus	278.45	K	Relay (1.0) Calculated Property
Vc	1.075	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[864.28; 945.84]	J/mol×K	[805.30; 1000.12]
Cp,gas	864.28	J/mol×K	805.30	Joback Calculated Property
Cp,gas	880.72	J/mol×K	837.77	Joback Calculated Property
Cp,gas	895.99	J/mol×K	870.24	Joback Calculated Property
Cp,gas	910.11	J/mol×K	902.71	Joback Calculated Property
Cp,gas	923.11	J/mol×K	935.18	Joback Calculated Property
Cp,gas	935.01	J/mol×K	967.65	Joback Calculated Property
Cp,gas	945.84	J/mol×K	1000.12	Joback Calculated Property
η	[0.0000426; 0.0009137]	Pa×s	[438.76; 805.30]
η	0.0009137	Pa×s	438.76	Joback Calculated Property
η	0.0004011	Pa×s	499.85	Joback Calculated Property
η	0.0002107	Pa×s	560.94	Joback Calculated Property
η	0.0001256	Pa×s	622.03	Joback Calculated Property
η	0.0000821	Pa×s	683.12	Joback Calculated Property
η	0.0000576	Pa×s	744.21	Joback Calculated Property
η	0.0000426	Pa×s	805.30	Joback Calculated Property

Similar Compounds

Find more compounds similar to Methyl undecyl phthalate.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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