Chemical Properties of Benzenepentacarboxylic acid, pentamethyl ester (CAS 3327-06-8)

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

CAS

3327-06-8

• 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_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).
• 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
ΔcH°solid	-6794.70 ± 1.40	kJ/mol	NIST
ΔfG°	-1011.87	kJ/mol	Joback Calculated Property
ΔfH°gas	-1406.92	kJ/mol	Joback Calculated Property
ΔfH°solid	-1788.20 ± 1.60	kJ/mol	NIST
ΔfusH°	43.62	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°	101.91	kJ/mol	Joback Calculated Property
log10WS	-2.68		Crippen Calculated Property
logPoct/wat	0.620		Crippen Calculated Property
McVol	249.740	ml/mol	McGowan Calculated Property
Pc	1970.05	kPa	Joback Calculated Property
Inp	[2345.00; 2345.00]
Inp	2345.00		NIST
Inp	2345.00		NIST
Tboil	993.53	K	Joback Calculated Property
Tc	1221.44	K	Joback Calculated Property
Tfus	424.70 ± 0.10	K	NIST
Vc	0.944	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[750.46; 765.38]	J/mol×K	[993.53; 1221.44]
Cp,gas	750.46	J/mol×K	993.53	Joback Calculated Property
Cp,gas	756.96	J/mol×K	1031.52	Joback Calculated Property
Cp,gas	761.66	J/mol×K	1069.50	Joback Calculated Property
Cp,gas	764.49	J/mol×K	1107.49	Joback Calculated Property
Cp,gas	765.38	J/mol×K	1145.47	Joback Calculated Property
Cp,gas	764.26	J/mol×K	1183.46	Joback Calculated Property
Cp,gas	761.06	J/mol×K	1221.44	Joback Calculated Property
η	[0.0000371; 0.0001536]	Pa×s	[707.38; 993.53]
η	0.0001536	Pa×s	707.38	Joback Calculated Property
η	0.0001125	Pa×s	755.07	Joback Calculated Property
η	0.0000855	Pa×s	802.76	Joback Calculated Property
η	0.0000670	Pa×s	850.45	Joback Calculated Property
η	0.0000539	Pa×s	898.15	Joback Calculated Property
η	0.0000443	Pa×s	945.84	Joback Calculated Property
η	0.0000371	Pa×s	993.53	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

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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