Chemical Properties of diethyl hydroxybutanedioate (CAS 7554-12-3)

InChI

InChI=1S/C8H14O5/c1-3-12-7(10)5-6(9)8(11)13-4-2/h6,9H,3-5H2,1-2H3

InChI Key

VKNUORWMCINMRB-UHFFFAOYSA-N

Formula

C8H14O5

SMILES

CCOC(=O)CC(O)C(=O)OCC

Molecular Weight¹

190.19

CAS

7554-12-3

Other Names

• Butanedioic acid, hydroxy-, diethyl ester, (±)-
• diethyl malate
• Malic acid, diethyl ester

• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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.
• I_p : 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	0.7468		Relay (1.0) Calculated Property
ΔfG°	-743.52	kJ/mol	Joback Calculated Property
ΔfH°gas	-1034.21	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	25.78	kJ/mol	Joback Calculated Property
ΔvapH°	72.88	kJ/mol	Relay (1.0) Calculated Property
IE	10.11	eV	Relay (1.0) Calculated Property
log10WS	-0.13		Relay (1.0) Calculated Property
logPoct/wat	-0.136		Crippen Calculated Property
McVol	144.330	ml/mol	McGowan Calculated Property
Pc	2841.41	kPa	Joback Calculated Property
Inp	[1270.60; 1270.60]
Inp	1270.60		NIST
Inp	1270.60		NIST
Ip	[2060.00; 2060.00]
Ip	2060.00		NIST
Ip	2060.00		NIST
Tboil	504.60	K	Relay (1.0) Calculated Property
Tc	705.45	K	Relay (1.0) Calculated Property
Tfus	286.00	K	Relay (1.0) Calculated Property
Vc	0.558	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[220.05; 467.48]	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			5.00430e+01
Coefficient B			6.94140e-01
Coefficient C			-2.55800e-04
Coefficient D			-2.09000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	220.05	J/mol×K	273.00	Calculated Property
Cp,gas	262.67	J/mol×K	353.78	Calculated Property
Cp,gas	301.67	J/mol×K	434.56	Calculated Property
Cp,gas	336.96	J/mol×K	515.33	Calculated Property
Cp,gas	368.50	J/mol×K	596.11	Calculated Property
Cp,gas	396.21	J/mol×K	676.89	Calculated Property
Cp,gas	420.04	J/mol×K	757.67	Calculated Property
Cp,gas	439.90	J/mol×K	838.44	Calculated Property
Cp,gas	455.74	J/mol×K	919.22	Calculated Property
Cp,gas	467.48	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0151285; 0.0001154]	Pa×s	[310.40; 535.49]	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			-1.57910e+01
Coefficient B			3.60057e+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.			310.40
Temperature range, max.			535.49
η	0.0151285	Pa×s	310.40	Calculated Property
η	0.0063702	Pa×s	335.41	Calculated Property
η	0.0030245	Pa×s	360.42	Calculated Property
η	0.0015817	Pa×s	385.43	Calculated Property
η	0.0008952	Pa×s	410.44	Calculated Property
η	0.0005409	Pa×s	435.45	Calculated Property
η	0.0003452	Pa×s	460.46	Calculated Property
η	0.0002307	Pa×s	485.47	Calculated Property
η	0.0001604	Pa×s	510.48	Calculated Property
η	0.0001154	Pa×s	535.49	Calculated Property

Similar Compounds

Find more compounds similar to diethyl hydroxybutanedioate.

Sources

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

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