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 : 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°	-590.62	kJ/mol	Joback Calculated Property
ΔfH°gas	-1034.21	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	22.62	kJ/mol	Joback Calculated Property
ΔvapH°	71.78	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	3107.10	kPa	Joback Calculated Property
Inp	[1270.60; 1270.60]
Inp	1270.60		NIST
Inp	1270.60		NIST
I	[2060.00; 2060.00]
I	2060.00		NIST
I	2060.00		NIST
Tboil	504.60	K	Relay (1.0) Calculated Property
Tc	699.17	K	Relay (1.0) Calculated Property
Tfus	288.10	K	Relay (1.0) Calculated Property
Vc	0.558	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[373.00; 427.12]	J/mol×K	[626.76; 805.81]
Cp,gas	373.00	J/mol×K	626.76	Joback Calculated Property
Cp,gas	383.17	J/mol×K	656.60	Joback Calculated Property
Cp,gas	392.88	J/mol×K	686.44	Joback Calculated Property
Cp,gas	402.14	J/mol×K	716.29	Joback Calculated Property
Cp,gas	410.94	J/mol×K	746.13	Joback Calculated Property
Cp,gas	419.27	J/mol×K	775.97	Joback Calculated Property
Cp,gas	427.12	J/mol×K	805.81	Joback Calculated Property
η	[0.0000641; 0.0032891]	Pa×s	[370.06; 626.76]
η	0.0032891	Pa×s	370.06	Joback Calculated Property
η	0.0012145	Pa×s	412.84	Joback Calculated Property
η	0.0005407	Pa×s	455.63	Joback Calculated Property
η	0.0002766	Pa×s	498.41	Joback Calculated Property
η	0.0001573	Pa×s	541.19	Joback Calculated Property
η	0.0000972	Pa×s	583.98	Joback Calculated Property
η	0.0000641	Pa×s	626.76	Joback Calculated Property
ΔvapH	59.60	kJ/mol	440.00	NIST

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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