Chemical Properties of Ethanedioic acid, bis(3-methylbutyl) ester (CAS 2051-00-5)

InChI

InChI=1S/C12H22O4/c1-9(2)5-7-15-11(13)12(14)16-8-6-10(3)4/h9-10H,5-8H2,1-4H3

InChI Key

HCUOPEBHVAVNIE-UHFFFAOYSA-N

Formula

C12H22O4

SMILES

CC(C)CCOC(=O)C(=O)OCCC(C)C

Molecular Weight¹

230.30

CAS

2051-00-5

Other Names

• Di-iso-amyl oxalate
• diisopentyl oxalate

• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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
ΔfG°	-422.56	kJ/mol	Joback Calculated Property
ΔfH°gas	-791.17	kJ/mol	Joback Calculated Property
ΔfusH°	25.36	kJ/mol	Joback Calculated Property
ΔvapH°	59.84	kJ/mol	Joback Calculated Property
log10WS	-2.09		Crippen Calculated Property
logPoct/wat	2.165		Crippen Calculated Property
McVol	194.820	ml/mol	McGowan Calculated Property
Pc	1954.41	kPa	Joback Calculated Property
Inp	[1443.00; 1443.00]
Inp	1443.00		NIST
Inp	1443.00		NIST
Tboil	625.66	K	Joback Calculated Property
Tc	808.87	K	Joback Calculated Property
Tfus	339.32	K	Joback Calculated Property
Vc	0.744	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[516.81; 597.13]	J/mol×K	[625.66; 808.87]
Cp,gas	516.81	J/mol×K	625.66	Joback Calculated Property
Cp,gas	531.92	J/mol×K	656.19	Joback Calculated Property
Cp,gas	546.34	J/mol×K	686.73	Joback Calculated Property
Cp,gas	560.07	J/mol×K	717.26	Joback Calculated Property
Cp,gas	573.11	J/mol×K	747.80	Joback Calculated Property
Cp,gas	585.47	J/mol×K	778.33	Joback Calculated Property
Cp,gas	597.13	J/mol×K	808.87	Joback Calculated Property
η	[0.0001321; 0.0027555]	Pa×s	[339.32; 625.66]
η	0.0027555	Pa×s	339.32	Joback Calculated Property
η	0.0012154	Pa×s	387.04	Joback Calculated Property
η	0.0006416	Pa×s	434.77	Joback Calculated Property
η	0.0003843	Pa×s	482.49	Joback Calculated Property
η	0.0002525	Pa×s	530.21	Joback Calculated Property
η	0.0001778	Pa×s	577.94	Joback Calculated Property
η	0.0001321	Pa×s	625.66	Joback Calculated Property
ΔvapH	58.60	kJ/mol	448.00	NIST

Similar Compounds

Find more compounds similar to Ethanedioic acid, bis(3-methylbutyl) ester.

Sources

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

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