Chemical Properties of Succinic acid, ethyl 3-iodobenzyl ester

InChI

InChI=1S/C13H15IO4/c1-2-17-12(15)6-7-13(16)18-9-10-4-3-5-11(14)8-10/h3-5,8H,2,6-7,9H2,1H3

InChI Key

SGOAARVYTKPQFG-UHFFFAOYSA-N

Formula

C13H15IO4

SMILES

CCOC(=O)CCC(=O)OCc1cccc(I)c1

Molecular Weight¹

362.16

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	36.22	kJ/mol	Joback Calculated Property
ΔvapH°	90.37	kJ/mol	Relay (1.0) Calculated Property
log10WS	-4.09		Relay (1.0) Calculated Property
logPoct/wat	2.678		Crippen Calculated Property
McVol	210.970	ml/mol	McGowan Calculated Property
Pc	2139.38	kPa	Joback Calculated Property
Inp	[2145.00; 2145.00]
Inp	2145.00		NIST
Inp	2145.00		NIST
Tboil	627.54	K	Relay (1.0) Calculated Property
Tc	830.54	K	Relay (1.0) Calculated Property
Tfus	292.46	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, 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	[528.16; 587.93]	J/mol×K	[738.28; 965.53]
Cp,gas	528.16	J/mol×K	738.28	Joback Calculated Property
Cp,gas	540.75	J/mol×K	776.15	Joback Calculated Property
Cp,gas	552.26	J/mol×K	814.03	Joback Calculated Property
Cp,gas	562.71	J/mol×K	851.90	Joback Calculated Property
Cp,gas	572.12	J/mol×K	889.78	Joback Calculated Property
Cp,gas	580.52	J/mol×K	927.65	Joback Calculated Property
Cp,gas	587.93	J/mol×K	965.53	Joback Calculated Property
η	[0.0000850; 0.0013328]	Pa×s	[417.93; 738.28]
η	0.0013328	Pa×s	417.93	Joback Calculated Property
η	0.0006496	Pa×s	471.32	Joback Calculated Property
η	0.0003665	Pa×s	524.71	Joback Calculated Property
η	0.0002298	Pa×s	578.11	Joback Calculated Property
η	0.0001559	Pa×s	631.50	Joback Calculated Property
η	0.0001124	Pa×s	684.89	Joback Calculated Property
η	0.0000850	Pa×s	738.28	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, ethyl 3-iodobenzyl ester.

Sources

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

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