Chemical Properties of Terephthalic acid, ethyl 2-phenoxyethyl ester

InChI

InChI=1S/C18H18O5/c1-2-21-17(19)14-8-10-15(11-9-14)18(20)23-13-12-22-16-6-4-3-5-7-16/h3-11H,2,12-13H2,1H3

InChI Key

CIRPOMNPTNEWJZ-UHFFFAOYSA-N

Formula

C18H18O5

SMILES

CCOC(=O)c1ccc(C(=O)OCCOc2ccccc2)cc1

Molecular Weight¹

314.34

• 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	0.8640		Relay (1.0) Calculated Property
ΔfH°gas	-693.80	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	36.83	kJ/mol	Joback Calculated Property
ΔvapH°	111.55	kJ/mol	Relay (1.0) Calculated Property
IE	8.54	eV	Relay (1.0) Calculated Property
log10WS	-4.61		Relay (1.0) Calculated Property
logPoct/wat	3.099		Crippen Calculated Property
McVol	237.710	ml/mol	McGowan Calculated Property
Pc	2021.76	kPa	Joback Calculated Property
Inp	[2622.00; 2622.00]
Inp	2622.00		NIST
Inp	2622.00		NIST
Tboil	664.65	K	Relay (1.0) Calculated Property
Tc	885.08	K	Relay (1.0) Calculated Property
Tfus	333.93	K	Relay (1.0) Calculated Property
Vc	0.887	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	[694.84; 755.59]	J/mol×K	[844.58; 1071.29]
Cp,gas	694.84	J/mol×K	844.58	Joback Calculated Property
Cp,gas	708.18	J/mol×K	882.36	Joback Calculated Property
Cp,gas	720.21	J/mol×K	920.15	Joback Calculated Property
Cp,gas	730.95	J/mol×K	957.93	Joback Calculated Property
Cp,gas	740.42	J/mol×K	995.72	Joback Calculated Property
Cp,gas	748.63	J/mol×K	1033.50	Joback Calculated Property
Cp,gas	755.59	J/mol×K	1071.29	Joback Calculated Property
η	[0.0000556; 0.0004449]	Pa×s	[524.53; 844.58]
η	0.0004449	Pa×s	524.53	Joback Calculated Property
η	0.0002680	Pa×s	577.87	Joback Calculated Property
η	0.0001759	Pa×s	631.21	Joback Calculated Property
η	0.0001233	Pa×s	684.56	Joback Calculated Property
η	0.0000910	Pa×s	737.90	Joback Calculated Property
η	0.0000699	Pa×s	791.24	Joback Calculated Property
η	0.0000556	Pa×s	844.58	Joback Calculated Property

Similar Compounds

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