Chemical Properties of 1,2-Benzenedicarboxylic acid, bis(2-ethoxyethyl) ester (CAS 605-54-9)

InChI

InChI=1S/C16H22O6/c1-3-19-9-11-21-15(17)13-7-5-6-8-14(13)16(18)22-12-10-20-4-2/h5-8H,3-4,9-12H2,1-2H3

InChI Key

RMKYMNRQXYPJHL-UHFFFAOYSA-N

Formula

C16H22O6

SMILES

CCOCCOC(=O)c1ccccc1C(=O)OCCOCC

Molecular Weight¹

310.34

CAS

605-54-9

Other Names

• Bis(2-ethoxyethyl)phthalate
• Bis(ethoxyethyl)phthalate
• Diethoxyethyl phthalate
• Phthalic acid, bis(2-ethoxyethyl) ester
• Phthalic acid, di(2-ethoxyethyl) ester

• 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	0.9164		Relay (1.0) Calculated Property
ΔfH°gas	-991.48	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	41.96	kJ/mol	Joback Calculated Property
ΔvapH°	89.33	kJ/mol	Relay (1.0) Calculated Property
IE	8.97	eV	Relay (1.0) Calculated Property
log10WS	-3.01		Relay (1.0) Calculated Property
logPoct/wat	2.073		Crippen Calculated Property
McVol	239.160	ml/mol	McGowan Calculated Property
Pc	1649.77	kPa	Joback Calculated Property
Inp	[2103.00; 2135.00]
Inp	2103.00		NIST
Inp	2135.00		NIST
Inp	2135.00		NIST
Inp	2103.00		NIST
Inp	2135.00		NIST
Inp	2103.00		NIST
Tboil	629.86	K	Relay (1.0) Calculated Property
Tc	817.46	K	Relay (1.0) Calculated Property
Tfus	243.08	K	Relay (1.0) Calculated Property
Vc	0.890	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	[693.39; 765.53]	J/mol×K	[758.62; 954.96]
Cp,gas	693.39	J/mol×K	758.62	Joback Calculated Property
Cp,gas	708.14	J/mol×K	791.34	Joback Calculated Property
Cp,gas	721.81	J/mol×K	824.07	Joback Calculated Property
Cp,gas	734.40	J/mol×K	856.79	Joback Calculated Property
Cp,gas	745.89	J/mol×K	889.52	Joback Calculated Property
Cp,gas	756.27	J/mol×K	922.24	Joback Calculated Property
Cp,gas	765.53	J/mol×K	954.96	Joback Calculated Property
η	[0.0000426; 0.0006480]	Pa×s	[438.14; 758.62]
η	0.0006480	Pa×s	438.14	Joback Calculated Property
η	0.0003217	Pa×s	491.55	Joback Calculated Property
η	0.0001833	Pa×s	544.97	Joback Calculated Property
η	0.0001154	Pa×s	598.38	Joback Calculated Property
η	0.0000784	Pa×s	651.79	Joback Calculated Property
η	0.0000565	Pa×s	705.21	Joback Calculated Property
η	0.0000426	Pa×s	758.62	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Benzenedicarboxylic acid, bis(2-ethoxyethyl) 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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