Chemical Properties of Butanedioic acid, hydroxy-, dimethyl ester (CAS 1587-15-1)

InChI

InChI=1S/C6H10O5/c1-10-5(8)3-4(7)6(9)11-2/h4,7H,3H2,1-2H3

InChI Key

YSEKNCXYRGKTBJ-UHFFFAOYSA-N

Formula

C6H10O5

SMILES

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

Molecular Weight¹

162.14

CAS

1587-15-1

Other Names

• Malic acid, dimethyl ester
• Dimethyl malate
• DL-Malic acid, dimethyl ester

• ω : Acentric Factor.
• 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_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	0.6906		Relay (1.0) Calculated Property
ΔfH°gas	-960.59	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	20.60	kJ/mol	Joback Calculated Property
ΔvapH°	71.72	kJ/mol	Relay (1.0) Calculated Property
IE	10.40	eV	Relay (1.0) Calculated Property
log10WS	0.36		Relay (1.0) Calculated Property
logPoct/wat	-0.917		Crippen Calculated Property
McVol	116.150	ml/mol	McGowan Calculated Property
Pc	3526.27	kPa	Joback Calculated Property
Inp	[1125.90; 1125.90]
Inp	1125.90		NIST
Inp	1125.90		NIST
Tboil	482.13	K	Relay (1.0) Calculated Property
Tc	691.57	K	Relay (1.0) Calculated Property
Tfus	297.66	K	Relay (1.0) Calculated Property
Vc	0.443	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[177.63; 364.30]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			5.18610e+01
Coefficient B			5.04140e-01
Coefficient C			-1.47000e-04
Coefficient D			-4.47000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	177.63	J/mol×K	273.00	Calculated Property
Cp,gas	209.84	J/mol×K	353.78	Calculated Property
Cp,gas	239.51	J/mol×K	434.56	Calculated Property
Cp,gas	266.51	J/mol×K	515.33	Calculated Property
Cp,gas	290.68	J/mol×K	596.11	Calculated Property
Cp,gas	311.89	J/mol×K	676.89	Calculated Property
Cp,gas	330.00	J/mol×K	757.67	Calculated Property
Cp,gas	344.87	J/mol×K	838.44	Calculated Property
Cp,gas	356.35	J/mol×K	919.22	Calculated Property
Cp,gas	364.30	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0247562; 0.0001506]	Pa×s	[287.86; 505.38]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.55525e+01
Coefficient B			3.41225e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			287.86
Temperature range, max.			505.38
η	0.0247562	Pa×s	287.86	Calculated Property
η	0.0098837	Pa×s	312.03	Calculated Property
η	0.0045029	Pa×s	336.20	Calculated Property
η	0.0022796	Pa×s	360.37	Calculated Property
η	0.0012572	Pa×s	384.54	Calculated Property
η	0.0007439	Pa×s	408.71	Calculated Property
η	0.0004667	Pa×s	432.88	Calculated Property
η	0.0003076	Pa×s	457.05	Calculated Property
η	0.0002114	Pa×s	481.21	Calculated Property
η	0.0001506	Pa×s	505.38	Calculated Property

Similar Compounds

Find more compounds similar to Butanedioic acid, hydroxy-, dimethyl ester.

Sources

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

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