Chemical Properties of Terephthalic acid, 2,2-dichloroethyl isobutyl ester

InChI

InChI=1S/C14H16Cl2O4/c1-9(2)7-19-13(17)10-3-5-11(6-4-10)14(18)20-8-12(15)16/h3-6,9,12H,7-8H2,1-2H3

InChI Key

YKWUTPPQDRCBEJ-UHFFFAOYSA-N

Formula

C14H16Cl2O4

SMILES

CC(C)COC(=O)c1ccc(C(=O)OCC(Cl)Cl)cc1

Molecular Weight¹

319.18

• 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	0.7841		Relay (1.0) Calculated Property
ΔfH°gas	-769.60	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	35.75	kJ/mol	Joback Calculated Property
ΔvapH°	91.00	kJ/mol	Relay (1.0) Calculated Property
IE	10.00	eV	Relay (1.0) Calculated Property
log10WS	-4.97		Relay (1.0) Calculated Property
logPoct/wat	3.460		Crippen Calculated Property
McVol	223.720	ml/mol	McGowan Calculated Property
Pc	1900.26	kPa	Joback Calculated Property
Inp	[2160.00; 2160.00]
Inp	2160.00		NIST
Inp	2160.00		NIST
Tboil	620.32	K	Relay (1.0) Calculated Property
Tc	830.81	K	Relay (1.0) Calculated Property
Tfus	341.86	K	Relay (1.0) Calculated Property
Vc	0.807	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	[584.06; 646.09]	J/mol×K	[742.00; 957.74]
Cp,gas	584.06	J/mol×K	742.00	Joback Calculated Property
Cp,gas	597.08	J/mol×K	777.96	Joback Calculated Property
Cp,gas	609.00	J/mol×K	813.91	Joback Calculated Property
Cp,gas	619.85	J/mol×K	849.87	Joback Calculated Property
Cp,gas	629.64	J/mol×K	885.83	Joback Calculated Property
Cp,gas	638.38	J/mol×K	921.78	Joback Calculated Property
Cp,gas	646.09	J/mol×K	957.74	Joback Calculated Property
η	[0.0000640; 0.0015996]	Pa×s	[400.98; 742.00]
η	0.0015996	Pa×s	400.98	Joback Calculated Property
η	0.0006705	Pa×s	457.82	Joback Calculated Property
η	0.0003405	Pa×s	514.65	Joback Calculated Property
η	0.0001979	Pa×s	571.49	Joback Calculated Property
η	0.0001269	Pa×s	628.33	Joback Calculated Property
η	0.0000876	Pa×s	685.16	Joback Calculated Property
η	0.0000640	Pa×s	742.00	Joback Calculated Property

Similar Compounds

Find more compounds similar to Terephthalic acid, 2,2-dichloroethyl isobutyl 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.