Chemical Properties of Tetraethylpyromellitate

InChI

InChI=1S/C18H22O8/c1-5-23-15(19)11-9-13(17(21)25-7-3)14(18(22)26-8-4)10-12(11)16(20)24-6-2/h9-10H,5-8H2,1-4H3

InChI Key

FRBIXZIRQKZWGN-UHFFFAOYSA-N

Formula

C18H22O8

SMILES

CCOC(=O)c1cc(C(=O)OCC)c(C(=O)OCC)cc1C(=O)OCC

Molecular Weight¹

366.37

• ω : Acentric Factor.
• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_subH° : Enthalpy of sublimation 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).
• 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	1.0498		Relay (1.0) Calculated Property
ΔcH°solid	-8644.40 ± 2.70	kJ/mol	NIST
ΔfG°	-1057.28	kJ/mol	Joback Calculated Property
ΔfH°gas	[-1479.30; -1476.00]	kJ/mol
ΔfH°gas	-1479.30	kJ/mol	NIST
ΔfH°gas	-1476.00 ± 6.00	kJ/mol	NIST
ΔfH°solid	[-1582.90; -1579.60]	kJ/mol
ΔfH°solid	-1582.90 ± 2.70	kJ/mol	NIST
ΔfH°solid	-1579.60 ± 2.70	kJ/mol	NIST
ΔfusH°	52.73	kJ/mol	Joback Calculated Property
ΔsubH°	103.60	kJ/mol	NIST
ΔvapH°	80.86	kJ/mol	Relay (1.0) Calculated Property
IE	9.41	eV	Relay (1.0) Calculated Property
log10WS	-3.99		Relay (1.0) Calculated Property
logPoct/wat	2.393		Crippen Calculated Property
McVol	270.480	ml/mol	McGowan Calculated Property
Pc	1434.80	kPa	Joback Calculated Property
Tboil	652.78	K	Relay (1.0) Calculated Property
Tc	853.12	K	Relay (1.0) Calculated Property
Tfus	305.58	K	Relay (1.0) Calculated Property
Vc	1.027	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[403.07; 852.75]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			9.71540e+01
Coefficient B			1.23728e+00
Coefficient C			-4.07080e-04
Coefficient D			-7.46000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	403.07	J/mol×K	273.00	Calculated Property
Cp,gas	480.62	J/mol×K	353.78	Calculated Property
Cp,gas	551.83	J/mol×K	434.56	Calculated Property
Cp,gas	616.45	J/mol×K	515.33	Calculated Property
Cp,gas	674.25	J/mol×K	596.11	Calculated Property
Cp,gas	725.00	J/mol×K	676.89	Calculated Property
Cp,gas	768.47	J/mol×K	757.67	Calculated Property
Cp,gas	804.40	J/mol×K	838.44	Calculated Property
Cp,gas	832.58	J/mol×K	919.22	Calculated Property
Cp,gas	852.75	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0003216; 0.0000413]	Pa×s	[525.92; 765.94]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.45904e+01
Coefficient B			3.44384e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			525.92
Temperature range, max.			765.94
η	0.0003216	Pa×s	525.92	Calculated Property
η	0.0002345	Pa×s	552.59	Calculated Property
η	0.0001760	Pa×s	579.26	Calculated Property
η	0.0001355	Pa×s	605.93	Calculated Property
η	0.0001066	Pa×s	632.60	Calculated Property
η	0.0000855	Pa×s	659.27	Calculated Property
η	0.0000698	Pa×s	685.94	Calculated Property
η	0.0000579	Pa×s	712.60	Calculated Property
η	0.0000486	Pa×s	739.27	Calculated Property
η	0.0000413	Pa×s	765.94	Calculated Property

Similar Compounds

Find more compounds similar to Tetraethylpyromellitate.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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