Chemical Properties of Terephthalic acid, ethyl 2-iodobenzyl ester

InChI

InChI=1S/C17H15IO4/c1-2-21-16(19)12-7-9-13(10-8-12)17(20)22-11-14-5-3-4-6-15(14)18/h3-10H,2,11H2,1H3

InChI Key

PVJLQXGRZFQJMT-UHFFFAOYSA-N

Formula

C17H15IO4

SMILES

CCOC(=O)c1ccc(C(=O)OCc2ccccc2I)cc1

Molecular Weight¹

410.20

• 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	0.7636		Relay (1.0) Calculated Property
ΔfH°gas	-459.33	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	37.07	kJ/mol	Joback Calculated Property
ΔvapH°	108.59	kJ/mol	Relay (1.0) Calculated Property
IE	8.67	eV	Relay (1.0) Calculated Property
log10WS	-5.40		Relay (1.0) Calculated Property
logPoct/wat	3.825		Crippen Calculated Property
McVol	243.570	ml/mol	McGowan Calculated Property
Pc	2167.36	kPa	Joback Calculated Property
Inp	[2856.00; 2856.00]
Inp	2856.00		NIST
Inp	2856.00		NIST
Tboil	680.05	K	Relay (1.0) Calculated Property
Tc	920.52	K	Relay (1.0) Calculated Property
Tfus	354.72	K	Relay (1.0) Calculated Property
Vc	0.856	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	[652.28; 701.67]	J/mol×K	[897.40; 1150.26]
Cp,gas	652.28	J/mol×K	897.40	Joback Calculated Property
Cp,gas	663.53	J/mol×K	939.54	Joback Calculated Property
Cp,gas	673.50	J/mol×K	981.69	Joback Calculated Property
Cp,gas	682.25	J/mol×K	1023.83	Joback Calculated Property
Cp,gas	689.84	J/mol×K	1065.97	Joback Calculated Property
Cp,gas	696.29	J/mol×K	1108.12	Joback Calculated Property
Cp,gas	701.67	J/mol×K	1150.26	Joback Calculated Property
η	[0.0000638; 0.0004608]	Pa×s	[561.61; 897.40]
η	0.0004608	Pa×s	561.61	Joback Calculated Property
η	0.0002855	Pa×s	617.58	Joback Calculated Property
η	0.0001915	Pa×s	673.54	Joback Calculated Property
η	0.0001366	Pa×s	729.50	Joback Calculated Property
η	0.0001022	Pa×s	785.47	Joback Calculated Property
η	0.0000795	Pa×s	841.43	Joback Calculated Property
η	0.0000638	Pa×s	897.40	Joback Calculated Property

Similar Compounds

Find more compounds similar to Terephthalic acid, ethyl 2-iodobenzyl 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.