Chemical Properties of Isophthalic acid, 4-methylpent-2-yl undecyl ester

InChI

InChI=1S/C25H40O4/c1-5-6-7-8-9-10-11-12-13-17-28-24(26)22-15-14-16-23(19-22)25(27)29-21(4)18-20(2)3/h14-16,19-21H,5-13,17-18H2,1-4H3

InChI Key

XNKKYWIMQVRBEH-UHFFFAOYSA-N

Formula

C25H40O4

SMILES

CCCCCCCCCCCOC(=O)c1cccc(C(=O)OC(C)CC(C)C)c1

Molecular Weight¹

404.59

• 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	1.1152		Relay (1.0) Calculated Property
ΔfH°gas	-969.56	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	55.85	kJ/mol	Joback Calculated Property
ΔvapH°	110.14	kJ/mol	Relay (1.0) Calculated Property
log10WS	-7.01		Relay (1.0) Calculated Property
logPoct/wat	6.966		Crippen Calculated Property
McVol	354.230	ml/mol	McGowan Calculated Property
Pc	931.78	kPa	Joback Calculated Property
Inp	[2796.00; 2796.00]
Inp	2796.00		NIST
Inp	2796.00		NIST
Tboil	662.51	K	Relay (1.0) Calculated Property
Tc	865.70	K	Relay (1.0) Calculated Property
Tfus	281.64	K	Relay (1.0) Calculated Property
Vc	1.328	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	[1166.46; 1248.85]	J/mol×K	[918.82; 1125.96]
Cp,gas	1166.46	J/mol×K	918.82	Joback Calculated Property
Cp,gas	1183.78	J/mol×K	953.34	Joback Calculated Property
Cp,gas	1199.61	J/mol×K	987.87	Joback Calculated Property
Cp,gas	1213.99	J/mol×K	1022.39	Joback Calculated Property
Cp,gas	1226.97	J/mol×K	1056.91	Joback Calculated Property
Cp,gas	1238.57	J/mol×K	1091.44	Joback Calculated Property
Cp,gas	1248.85	J/mol×K	1125.96	Joback Calculated Property
η	[0.0000168; 0.0006910]	Pa×s	[465.11; 918.82]
η	0.0006910	Pa×s	465.11	Joback Calculated Property
η	0.0002411	Pa×s	540.73	Joback Calculated Property
η	0.0001089	Pa×s	616.35	Joback Calculated Property
η	0.0000585	Pa×s	691.96	Joback Calculated Property
η	0.0000356	Pa×s	767.58	Joback Calculated Property
η	0.0000236	Pa×s	843.20	Joback Calculated Property
η	0.0000168	Pa×s	918.82	Joback Calculated Property

Similar Compounds

Find more compounds similar to Isophthalic acid, 4-methylpent-2-yl undecyl 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.
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