Chemical Properties of Terephthalic acid, di(2-phenoxyethyl) ester

InChI

InChI=1S/C24H22O6/c25-23(29-17-15-27-21-7-3-1-4-8-21)19-11-13-20(14-12-19)24(26)30-18-16-28-22-9-5-2-6-10-22/h1-14H,15-18H2

InChI Key

JJTLCMPVLZYLPH-UHFFFAOYSA-N

Formula

C24H22O6

SMILES

O=C(OCCOc1ccccc1)c1ccc(C(=O)OCCOc2ccccc2)cc1

Molecular Weight¹

406.43

• 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	1.0382		Relay (1.0) Calculated Property
ΔfH°gas	-691.14	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	47.60	kJ/mol	Joback Calculated Property
ΔvapH°	141.23	kJ/mol	Relay (1.0) Calculated Property
IE	8.46	eV	Relay (1.0) Calculated Property
log10WS	-5.77		Relay (1.0) Calculated Property
logPoct/wat	4.158		Crippen Calculated Property
McVol	304.360	ml/mol	McGowan Calculated Property
Pc	1618.07	kPa	Joback Calculated Property
Inp	[2524.00; 2524.00]
Inp	2524.00		NIST
Inp	2524.00		NIST
Tboil	740.41	K	Relay (1.0) Calculated Property
Tc	1008.67	K	Relay (1.0) Calculated Property
Tfus	381.39	K	Relay (1.0) Calculated Property
Vc	1.126	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	[959.41; 990.41]	J/mol×K	[1030.96; 1275.31]
Cp,gas	959.41	J/mol×K	1030.96	Joback Calculated Property
Cp,gas	968.95	J/mol×K	1071.69	Joback Calculated Property
Cp,gas	976.69	J/mol×K	1112.41	Joback Calculated Property
Cp,gas	982.67	J/mol×K	1153.14	Joback Calculated Property
Cp,gas	986.93	J/mol×K	1193.86	Joback Calculated Property
Cp,gas	989.49	J/mol×K	1234.59	Joback Calculated Property
Cp,gas	990.41	J/mol×K	1275.31	Joback Calculated Property
η	[0.0000180; 0.0001513]	Pa×s	[640.80; 1030.96]
η	0.0001513	Pa×s	640.80	Joback Calculated Property
η	0.0000901	Pa×s	705.83	Joback Calculated Property
η	0.0000586	Pa×s	770.85	Joback Calculated Property
η	0.0000408	Pa×s	835.88	Joback Calculated Property
η	0.0000299	Pa×s	900.91	Joback Calculated Property
η	0.0000228	Pa×s	965.93	Joback Calculated Property
η	0.0000180	Pa×s	1030.96	Joback Calculated Property

Similar Compounds

Find more compounds similar to Terephthalic acid, di(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.