Chemical Properties of Terephthalic acid, 2-iodobenzyl propyl ester

InChI

InChI=1S/C18H17IO4/c1-2-11-22-17(20)13-7-9-14(10-8-13)18(21)23-12-15-5-3-4-6-16(15)19/h3-10H,2,11-12H2,1H3

InChI Key

QPSZNHHHNQELKO-UHFFFAOYSA-N

Formula

C18H17IO4

SMILES

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

Molecular Weight¹

424.23

• 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	0.8115		Relay (1.0) Calculated Property
ΔfH°gas	-475.40	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	39.66	kJ/mol	Joback Calculated Property
ΔvapH°	106.76	kJ/mol	Relay (1.0) Calculated Property
IE	8.70	eV	Relay (1.0) Calculated Property
log10WS	-5.72		Relay (1.0) Calculated Property
logPoct/wat	4.215		Crippen Calculated Property
McVol	257.660	ml/mol	McGowan Calculated Property
Pc	1985.89	kPa	Joback Calculated Property
Inp	[2970.00; 2970.00]
Inp	2970.00		NIST
Inp	2970.00		NIST
Tboil	687.53	K	Relay (1.0) Calculated Property
Tc	926.02	K	Relay (1.0) Calculated Property
Tfus	349.49	K	Relay (1.0) Calculated Property
Vc	0.908	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	[708.27; 758.57]	J/mol×K	[920.28; 1169.28]
Cp,gas	708.27	J/mol×K	920.28	Joback Calculated Property
Cp,gas	719.67	J/mol×K	961.78	Joback Calculated Property
Cp,gas	729.80	J/mol×K	1003.28	Joback Calculated Property
Cp,gas	738.70	J/mol×K	1044.78	Joback Calculated Property
Cp,gas	746.43	J/mol×K	1086.28	Joback Calculated Property
Cp,gas	753.04	J/mol×K	1127.78	Joback Calculated Property
Cp,gas	758.57	J/mol×K	1169.28	Joback Calculated Property
η	[0.0000552; 0.0004149]	Pa×s	[572.88; 920.28]
η	0.0004149	Pa×s	572.88	Joback Calculated Property
η	0.0002540	Pa×s	630.78	Joback Calculated Property
η	0.0001689	Pa×s	688.68	Joback Calculated Property
η	0.0001197	Pa×s	746.58	Joback Calculated Property
η	0.0000891	Pa×s	804.48	Joback Calculated Property
η	0.0000690	Pa×s	862.38	Joback Calculated Property
η	0.0000552	Pa×s	920.28	Joback Calculated Property

Similar Compounds

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