Chemical Properties of Benzenepentacarboxylic acid, pentamethyl ester

InChI

InChI=1S/C16H16O10/c1-22-12(17)7-6-8(13(18)23-2)10(15(20)25-4)11(16(21)26-5)9(7)14(19)24-3/h6H,1-5H3

InChI Key

UVKUTUMTHIGYKO-UHFFFAOYSA-N

Formula

C16H16O10

SMILES

COC(=O)c1cc(C(=O)OC)c(C(=O)OC)c(C(=O)OC)c1C(=O)OC

Molecular Weight¹

368.29

• 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_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_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_subH° : Enthalpy of sublimation at standard conditions (kJ/mol).
• Δ_subH : Enthalpy of sublimation at a given temperature (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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°solid	-6794.70 ± 1.40	kJ/mol	NIST
ΔfH°gas	-1626.25	kJ/mol	Relay (1.0) Calculated Property
ΔfH°solid	-1788.20 ± 1.60	kJ/mol	NIST
ΔfusH°	51.53	kJ/mol	Joback Calculated Property
ΔsubH°	[165.10; 165.10]	kJ/mol
ΔsubH°	165.10 ± 0.80	kJ/mol	NIST
ΔsubH°	165.10 ± 0.80	kJ/mol	NIST
ΔvapH°	84.32	kJ/mol	Relay (1.0) Calculated Property
IE	9.87	eV	Relay (1.0) Calculated Property
log10WS	-3.08		Relay (1.0) Calculated Property
logPoct/wat	0.620		Crippen Calculated Property
McVol	249.740	ml/mol	McGowan Calculated Property
Pc	1655.15	kPa	Joback Calculated Property
Inp	[2345.00; 2345.00]
Inp	2345.00		NIST
Inp	2345.00		NIST
Tboil	633.94	K	Relay (1.0) Calculated Property
Tc	884.17	K	Relay (1.0) Calculated Property
Tfus	424.70 ± 0.10	K	NIST

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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	[737.02; 759.70]	J/mol×K	[903.38; 1117.52]
Cp,gas	737.02	J/mol×K	903.38	Joback Calculated Property
Cp,gas	744.94	J/mol×K	939.07	Joback Calculated Property
Cp,gas	751.22	J/mol×K	974.76	Joback Calculated Property
Cp,gas	755.80	J/mol×K	1010.45	Joback Calculated Property
Cp,gas	758.65	J/mol×K	1046.14	Joback Calculated Property
Cp,gas	759.70	J/mol×K	1081.83	Joback Calculated Property
Cp,gas	758.91	J/mol×K	1117.52	Joback Calculated Property
η	[0.0000188; 0.0002200]	Pa×s	[558.23; 903.38]
η	0.0002200	Pa×s	558.23	Joback Calculated Property
η	0.0001206	Pa×s	615.75	Joback Calculated Property
η	0.0000732	Pa×s	673.28	Joback Calculated Property
η	0.0000481	Pa×s	730.80	Joback Calculated Property
η	0.0000336	Pa×s	788.33	Joback Calculated Property
η	0.0000246	Pa×s	845.85	Joback Calculated Property
η	0.0000188	Pa×s	903.38	Joback Calculated Property
ΔfusH	38.00	kJ/mol	424.70	NIST
ΔsubH	160.00 ± 0.80	kJ/mol	401.00	NIST

Similar Compounds

Find more compounds similar to Benzenepentacarboxylic acid, pentamethyl 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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