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).
• P_vap : Vapor 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	[1244.00; 1244.00]
Inp	1244.00		NIST
Inp	1244.00		NIST
Ip	[2037.00; 2065.00]
Ip	2041.00		NIST
Ip	2062.00		NIST
Ip	2041.00		NIST
Ip	2041.00		NIST
Ip	2041.00		NIST
Ip	2058.00		NIST
Ip	2037.00		NIST
Ip	2048.00		NIST
Ip	2065.00		NIST
Ip	2053.00		NIST
Ip	2059.00		NIST
Ip	2064.00		NIST
Ip	2053.00		NIST
Ip	2039.00		NIST
Ip	2045.00		NIST
Ip	2041.00		NIST
Ip	2064.00		NIST
Ip	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

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

Property	Value	Unit	Temperature (K)	Source
Pvap	[0.13; 100.82]	kPa	[353.80; 526.60]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.68826e+01
Coefficient B			-6.04200e+03
Coefficient C			-3.41510e+01
Reference			Stull, 1947
Comment			Coefficents calculated by NIST from author's data.
Temperature range, min.			353.80
Temperature range, max.			526.60
Pvap	0.13	kPa	353.80	Calculated Property
Pvap	0.39	kPa	373.00	Calculated Property
Pvap	1.01	kPa	392.20	Calculated Property
Pvap	2.38	kPa	411.40	Calculated Property
Pvap	5.17	kPa	430.60	Calculated Property
Pvap	10.45	kPa	449.80	Calculated Property
Pvap	19.85	kPa	469.00	Calculated Property
Pvap	35.72	kPa	488.20	Calculated Property
Pvap	61.29	kPa	507.40	Calculated Property
Pvap	100.82	kPa	526.60	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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.