Chemical Properties of 1,2-Benzenedicarboxylic acid, ethyl methyl ester (CAS 34006-77-4)

InChI

InChI=1S/C11H12O4/c1-3-15-11(13)9-7-5-4-6-8(9)10(12)14-2/h4-7H,3H2,1-2H3

InChI Key

HGERXYZHJFOFNE-UHFFFAOYSA-N

Formula

C11H12O4

SMILES

CCOC(=O)c1ccccc1C(=O)OC

Molecular Weight¹

208.21

CAS

34006-77-4

Other Names

• Ethyl methyl phthalate

• 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.
• I : 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	0.6398		Relay (1.0) Calculated Property
ΔfH°gas	-636.52	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	26.64	kJ/mol	Joback Calculated Property
ΔvapH°	76.06	kJ/mol	Relay (1.0) Calculated Property
IE	9.27	eV	Relay (1.0) Calculated Property
log10WS	-2.91		Relay (1.0) Calculated Property
logPoct/wat	1.650		Crippen Calculated Property
McVol	156.970	ml/mol	McGowan Calculated Property
Pc	2635.25	kPa	Joback Calculated Property
Inp	[1499.00; 1499.00]
Inp	1499.00		NIST
Inp	1499.00		NIST
I	2315.00		NIST
Tboil	558.68	K	Relay (1.0) Calculated Property
Tc	752.05	K	Relay (1.0) Calculated Property
Tfus	264.33	K	Relay (1.0) Calculated Property
Vc	0.587	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	[379.84; 446.77]	J/mol×K	[599.38; 810.37]
Cp,gas	379.84	J/mol×K	599.38	Joback Calculated Property
Cp,gas	393.08	J/mol×K	634.55	Joback Calculated Property
Cp,gas	405.48	J/mol×K	669.71	Joback Calculated Property
Cp,gas	417.05	J/mol×K	704.88	Joback Calculated Property
Cp,gas	427.79	J/mol×K	740.04	Joback Calculated Property
Cp,gas	437.69	J/mol×K	775.21	Joback Calculated Property
Cp,gas	446.77	J/mol×K	810.37	Joback Calculated Property
η	[0.0001364; 0.0020955]	Pa×s	[337.33; 599.38]
η	0.0020955	Pa×s	337.33	Joback Calculated Property
η	0.0010238	Pa×s	381.00	Joback Calculated Property
η	0.0005796	Pa×s	424.68	Joback Calculated Property
η	0.0003649	Pa×s	468.35	Joback Calculated Property
η	0.0002485	Pa×s	512.03	Joback Calculated Property
η	0.0001798	Pa×s	555.70	Joback Calculated Property
η	0.0001364	Pa×s	599.38	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Benzenedicarboxylic acid, ethyl methyl 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.
These property values are available through the Cheméo API. A free account gives you an access key.