Chemical Properties of Dimethyl 3-hydroxy-3-methylpentane-1,5-dioate (CAS 56652-39-2)

InChI

InChI=1S/C8H14O5/c1-8(11,4-6(9)12-2)5-7(10)13-3/h11H,4-5H2,1-3H3

InChI Key

ANEMYUYZEOZEJW-UHFFFAOYSA-N

Formula

C8H14O5

SMILES

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

Molecular Weight¹

190.19

CAS

56652-39-2

Other Names

• Pentanedioic acid, 3-hydroxy-3-methyl-, dimethyl ester
• dimethyl 3-hydroxy-3-methylglutarate

• 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).
• 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°	-585.34	kJ/mol	Joback Calculated Property
ΔfH°gas	-859.03	kJ/mol	Joback Calculated Property
ΔfusH°	18.72	kJ/mol	Joback Calculated Property
ΔvapH°	67.10	kJ/mol	Joback Calculated Property
log10WS	-0.27		Crippen Calculated Property
logPoct/wat	-0.136		Crippen Calculated Property
McVol	144.330	ml/mol	McGowan Calculated Property
Pc	3145.56	kPa	Joback Calculated Property
Inp	[1191.00; 1191.00]
Inp	1191.00		NIST
Inp	1191.00		NIST
Inp	1191.00		NIST
Tboil	623.97	K	Joback Calculated Property
Tc	808.40	K	Joback Calculated Property
Tfus	387.48	K	Joback Calculated Property
Vc	0.539	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[376.01; 430.00]	J/mol×K	[623.97; 808.40]
Cp,gas	376.01	J/mol×K	623.97	Joback Calculated Property
Cp,gas	386.31	J/mol×K	654.71	Joback Calculated Property
Cp,gas	396.07	J/mol×K	685.45	Joback Calculated Property
Cp,gas	405.32	J/mol×K	716.18	Joback Calculated Property
Cp,gas	414.05	J/mol×K	746.92	Joback Calculated Property
Cp,gas	422.28	J/mol×K	777.66	Joback Calculated Property
Cp,gas	430.00	J/mol×K	808.40	Joback Calculated Property
η	[0.0000610; 0.0024147]	Pa×s	[387.48; 623.97]
η	0.0024147	Pa×s	387.48	Joback Calculated Property
η	0.0009857	Pa×s	426.90	Joback Calculated Property
η	0.0004681	Pa×s	466.31	Joback Calculated Property
η	0.0002497	Pa×s	505.73	Joback Calculated Property
η	0.0001459	Pa×s	545.14	Joback Calculated Property
η	0.0000916	Pa×s	584.56	Joback Calculated Property
η	0.0000610	Pa×s	623.97	Joback Calculated Property

Similar Compounds

Find more compounds similar to Dimethyl 3-hydroxy-3-methylpentane-1,5-dioate.

Sources

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

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