Chemical Properties of Butanedioic acid, hydroxy-, diethyl ester, (.+/-.)- (CAS 626-11-9)

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

626-11-9

Other Names

• Diethyl dl-malate
• Ethyl dl-malate
• Butanedioic acid, hydroxy-, diethyl ester, (±)-
• Diethyl hydroxybutanoate
• Diethyl malate
• diethyl (±)-malate

• 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).
• 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°	-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	[1244.00; 1244.00]
Inp	1244.00		NIST
Inp	1244.00		NIST
I	[2037.00; 2065.00]
I	2041.00		NIST
I	2062.00		NIST
I	2041.00		NIST
I	2041.00		NIST
I	2041.00		NIST
I	2058.00		NIST
I	2037.00		NIST
I	2048.00		NIST
I	2065.00		NIST
I	2053.00		NIST
I	2059.00		NIST
I	2064.00		NIST
I	2053.00		NIST
I	2039.00		NIST
I	2045.00		NIST
I	2041.00		NIST
I	2064.00		NIST
I	2037.00		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

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[366.55; 422.00]	J/mol×K	[590.82; 764.99]
Cp,gas	366.55	J/mol×K	590.82	Joback Calculated Property
Cp,gas	377.05	J/mol×K	619.85	Joback Calculated Property
Cp,gas	387.04	J/mol×K	648.88	Joback Calculated Property
Cp,gas	396.54	J/mol×K	677.90	Joback Calculated Property
Cp,gas	405.53	J/mol×K	706.93	Joback Calculated Property
Cp,gas	414.02	J/mol×K	735.96	Joback Calculated Property
Cp,gas	422.00	J/mol×K	764.99	Joback Calculated Property
η	[0.0000615; 0.0151285]	Pa×s	[310.40; 590.82]
η	0.0151285	Pa×s	310.40	Joback Calculated Property
η	0.0033154	Pa×s	357.14	Joback Calculated Property
η	0.0010324	Pa×s	403.87	Joback Calculated Property
η	0.0004095	Pa×s	450.61	Joback Calculated Property
η	0.0001933	Pa×s	497.35	Joback Calculated Property
η	0.0001038	Pa×s	544.08	Joback Calculated Property
η	0.0000615	Pa×s	590.82	Joback Calculated Property

Similar Compounds

Find more compounds similar to Butanedioic acid, hydroxy-, diethyl ester, (.+/-.)-.

Sources

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

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