Chemical Properties of Propanedioic acid, methyl-, diethyl ester (CAS 609-08-5)

InChI

InChI=1S/C8H14O4/c1-4-11-7(9)6(3)8(10)12-5-2/h6H,4-5H2,1-3H3

InChI Key

UPQZOUHVTJNGFK-UHFFFAOYSA-N

Formula

C8H14O4

SMILES

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

Molecular Weight¹

174.19

CAS

609-08-5

Other Names

• Diethyl 2-methylmalonate
• Ethyl methylmalonate
• Malonic acid, methyl-, diethyl ester
• Methylmalonic acid diethyl ester
• Propanedioic acid, 2-methyl-, diethyl ester
• diethyl isosuccinate
• diethyl methylmalonate
• diethyl methylpropanedioate

• 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).
• P_vap : Vapor 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	0.5251		Relay (1.0) Calculated Property
ΔfG°	-453.80	kJ/mol	Joback Calculated Property
ΔfH°gas	-868.47	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	18.53	kJ/mol	Joback Calculated Property
ΔvapH°	60.82	kJ/mol	Relay (1.0) Calculated Property
IE	10.00	eV	Relay (1.0) Calculated Property
log10WS	-0.98		Relay (1.0) Calculated Property
logPoct/wat	0.749		Crippen Calculated Property
McVol	138.460	ml/mol	McGowan Calculated Property
Pc	2811.36	kPa	Joback Calculated Property
Inp	[1073.00; 1073.00]
Inp	1073.00		NIST
Inp	1073.00		NIST
I	[1539.00; 1539.00]
I	1539.00		NIST
I	1539.00		NIST
Tboil	[471.70; 474.20]	K
Tboil	471.70	K	NIST
Tboil	474.20	K	NIST
Tc	637.31	K	Relay (1.0) Calculated Property
Tfus	234.34	K	Relay (1.0) Calculated Property
Vc	0.525	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[322.54; 386.20]	J/mol×K	[534.58; 722.01]
Cp,gas	322.54	J/mol×K	534.58	Joback Calculated Property
Cp,gas	334.30	J/mol×K	565.82	Joback Calculated Property
Cp,gas	345.61	J/mol×K	597.06	Joback Calculated Property
Cp,gas	356.46	J/mol×K	628.29	Joback Calculated Property
Cp,gas	366.85	J/mol×K	659.53	Joback Calculated Property
Cp,gas	376.76	J/mol×K	690.77	Joback Calculated Property
Cp,gas	386.20	J/mol×K	722.01	Joback Calculated Property
η	[0.0002153; 0.0026376]	Pa×s	[309.24; 534.58]
η	0.0026376	Pa×s	309.24	Joback Calculated Property
η	0.0013856	Pa×s	346.80	Joback Calculated Property
η	0.0008255	Pa×s	384.35	Joback Calculated Property
η	0.0005393	Pa×s	421.91	Joback Calculated Property
η	0.0003777	Pa×s	459.47	Joback Calculated Property
η	0.0002792	Pa×s	497.02	Joback Calculated Property
η	0.0002153	Pa×s	534.58	Joback Calculated Property
ΔvapH	52.50	kJ/mol	393.50	NIST
Pvap	[3.15; 92.85]	kPa	[373.15; 468.15]
Pvap	3.15	kPa	373.15	Vapor Pressures of Morpholine, Diethyl Methylmalonate, and Five Glycol Ethers at Temperatures up to 473.15 K
Pvap	5.02	kPa	383.15	Vapor Pressures of Morpholine, Diethyl Methylmalonate, and Five Glycol Ethers at Temperatures up to 473.15 K
Pvap	7.94	kPa	393.15	Vapor Pressures of Morpholine, Diethyl Methylmalonate, and Five Glycol Ethers at Temperatures up to 473.15 K
Pvap	11.84	kPa	403.15	Vapor Pressures of Morpholine, Diethyl Methylmalonate, and Five Glycol Ethers at Temperatures up to 473.15 K
Pvap	17.40	kPa	413.15	Vapor Pressures of Morpholine, Diethyl Methylmalonate, and Five Glycol Ethers at Temperatures up to 473.15 K
Pvap	24.82	kPa	423.15	Vapor Pressures of Morpholine, Diethyl Methylmalonate, and Five Glycol Ethers at Temperatures up to 473.15 K
Pvap	34.43	kPa	433.15	Vapor Pressures of Morpholine, Diethyl Methylmalonate, and Five Glycol Ethers at Temperatures up to 473.15 K
Pvap	46.74	kPa	443.15	Vapor Pressures of Morpholine, Diethyl Methylmalonate, and Five Glycol Ethers at Temperatures up to 473.15 K
Pvap	62.44	kPa	453.15	Vapor Pressures of Morpholine, Diethyl Methylmalonate, and Five Glycol Ethers at Temperatures up to 473.15 K
Pvap	71.52	kPa	458.15	Vapor Pressures of Morpholine, Diethyl Methylmalonate, and Five Glycol Ethers at Temperatures up to 473.15 K
Pvap	81.75	kPa	463.15	Vapor Pressures of Morpholine, Diethyl Methylmalonate, and Five Glycol Ethers at Temperatures up to 473.15 K
Pvap	92.85	kPa	468.15	Vapor Pressures of Morpholine, Diethyl Methylmalonate, and Five Glycol Ethers at Temperatures up to 473.15 K

Similar Compounds

Find more compounds similar to Propanedioic acid, methyl-, diethyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Vapor Pressures of Morpholine, Diethyl Methylmalonate, and Five Glycol Ethers at Temperatures up to 473.15 K
• Joback Method
• McGowan Method
• NIST Webbook

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