Chemical Properties of Pentanedioic acid, 3-hydroxy-3-(methoxycarbonylmethyl), dimethyl ester

InChI

InChI=1S/C10H16O7/c1-15-7(11)4-10(14,5-8(12)16-2)6-9(13)17-3/h14H,4-6H2,1-3H3

InChI Key

INSYEQUXCNXBRN-UHFFFAOYSA-N

Formula

C10H16O7

SMILES

COC(=O)CC(O)(CC(=O)OC)CC(=O)OC

Molecular Weight¹

248.23

• ω : Acentric Factor.
• 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_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	0.8466		Relay (1.0) Calculated Property
ΔfG°	-802.42	kJ/mol	Joback Calculated Property
ΔfH°gas	-1351.26	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	26.69	kJ/mol	Joback Calculated Property
ΔvapH°	88.16	kJ/mol	Relay (1.0) Calculated Property
IE	9.89	eV	Relay (1.0) Calculated Property
log10WS	-0.10		Relay (1.0) Calculated Property
logPoct/wat	-0.593		Crippen Calculated Property
McVol	179.950	ml/mol	McGowan Calculated Property
Pc	2687.42	kPa	Joback Calculated Property
Inp	[1496.00; 1496.00]
Inp	1496.00		NIST
Inp	1496.00		NIST
Tboil	557.07	K	Relay (1.0) Calculated Property
Tc	746.14	K	Relay (1.0) Calculated Property
Tfus	338.55	K	Relay (1.0) Calculated Property
Vc	0.653	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[513.56; 565.67]	J/mol×K	[746.02; 935.24]
Cp,gas	513.56	J/mol×K	746.02	Joback Calculated Property
Cp,gas	523.93	J/mol×K	777.56	Joback Calculated Property
Cp,gas	533.62	J/mol×K	809.09	Joback Calculated Property
Cp,gas	542.64	J/mol×K	840.63	Joback Calculated Property
Cp,gas	550.99	J/mol×K	872.17	Joback Calculated Property
Cp,gas	558.67	J/mol×K	903.70	Joback Calculated Property
Cp,gas	565.67	J/mol×K	935.24	Joback Calculated Property
η	[0.0000246; 0.0005835]	Pa×s	[482.18; 746.02]
η	0.0005835	Pa×s	482.18	Joback Calculated Property
η	0.0002761	Pa×s	526.15	Joback Calculated Property
η	0.0001466	Pa×s	570.13	Joback Calculated Property
η	0.0000853	Pa×s	614.10	Joback Calculated Property
η	0.0000533	Pa×s	658.07	Joback Calculated Property
η	0.0000353	Pa×s	702.05	Joback Calculated Property
η	0.0000246	Pa×s	746.02	Joback Calculated Property

Similar Compounds

Find more compounds similar to Pentanedioic acid, 3-hydroxy-3-(methoxycarbonylmethyl), dimethyl ester.

Sources

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

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