Chemical Properties of Terephthalic acid, 2-ethylbutyl heptadecyl ester

InChI

InChI=1S/C31H52O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-34-30(32)28-21-23-29(24-22-28)31(33)35-26-27(5-2)6-3/h21-24,27H,4-20,25-26H2,1-3H3

InChI Key

AMYFYOXTJGKITA-UHFFFAOYSA-N

Formula

C31H52O4

SMILES

CCCCCCCCCCCCCCCCCOC(=O)c1ccc(C(=O)OCC(CC)CC)cc1

Molecular Weight¹

488.75

• 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).
• 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	1.3597		Relay (1.0) Calculated Property
ΔfH°gas	-1084.86	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	74.91	kJ/mol	Joback Calculated Property
ΔvapH°	143.31	kJ/mol	Relay (1.0) Calculated Property
log10WS	-8.98		Relay (1.0) Calculated Property
logPoct/wat	9.308		Crippen Calculated Property
McVol	438.770	ml/mol	McGowan Calculated Property
Pc	671.16	kPa	Joback Calculated Property
Inp	[3587.00; 3587.00]
Inp	3587.00		NIST
Inp	3587.00		NIST
Tboil	713.19	K	Relay (1.0) Calculated Property
Tc	912.99	K	Relay (1.0) Calculated Property
Tfus	280.37	K	Relay (1.0) Calculated Property
Vc	1.647	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1543.05; 1624.74]	J/mol×K	[1056.54; 1307.31]
Cp,gas	1543.05	J/mol×K	1056.54	Joback Calculated Property
Cp,gas	1561.88	J/mol×K	1098.34	Joback Calculated Property
Cp,gas	1578.49	J/mol×K	1140.13	Joback Calculated Property
Cp,gas	1592.97	J/mol×K	1181.93	Joback Calculated Property
Cp,gas	1605.43	J/mol×K	1223.72	Joback Calculated Property
Cp,gas	1615.99	J/mol×K	1265.52	Joback Calculated Property
Cp,gas	1624.74	J/mol×K	1307.31	Joback Calculated Property
η	[0.0000070; 0.0002432]	Pa×s	[547.73; 1056.54]
η	0.0002432	Pa×s	547.73	Joback Calculated Property
η	0.0000907	Pa×s	632.53	Joback Calculated Property
η	0.0000427	Pa×s	717.33	Joback Calculated Property
η	0.0000236	Pa×s	802.13	Joback Calculated Property
η	0.0000146	Pa×s	886.94	Joback Calculated Property
η	0.0000098	Pa×s	971.74	Joback Calculated Property
η	0.0000070	Pa×s	1056.54	Joback Calculated Property

Similar Compounds

Find more compounds similar to Terephthalic acid, 2-ethylbutyl heptadecyl 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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