Chemical Properties of Diethyl dibromomalonate (CAS 631-22-1)

InChI

InChI=1S/C7H10Br2O4/c1-3-12-5(10)7(8,9)6(11)13-4-2/h3-4H2,1-2H3

InChI Key

PFZYFZRUPFUEOB-UHFFFAOYSA-N

Formula

C7H10Br2O4

SMILES

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

Molecular Weight¹

317.96

CAS

631-22-1

Other Names

• Propanedioic acid, dibromo-, diethyl ester
• Ethyl dibromomalonate
• Malonic acid, dibromo-, diethyl ester
• Dibromo malonic 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).
• 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).
• 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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[213.17; 416.29]	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			3.92520e+01
Coefficient B			7.61440e-01
Coefficient C			-4.82400e-04
Coefficient D			9.80000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	213.17	J/mol×K	273.00	Calculated Property
Cp,gas	252.60	J/mol×K	353.78	Calculated Property
Cp,gas	287.09	J/mol×K	434.56	Calculated Property
Cp,gas	316.95	J/mol×K	515.33	Calculated Property
Cp,gas	342.49	J/mol×K	596.11	Calculated Property
Cp,gas	364.03	J/mol×K	676.89	Calculated Property
Cp,gas	381.87	J/mol×K	757.67	Calculated Property
Cp,gas	396.32	J/mol×K	838.44	Calculated Property
Cp,gas	407.69	J/mol×K	919.22	Calculated Property
Cp,gas	416.29	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0021148; 0.0001953]	Pa×s	[375.33; 576.91]	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			-1.29771e+01
Coefficient B			2.55910e+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.			375.33
Temperature range, max.			576.91
η	0.0021148	Pa×s	375.33	Calculated Property
η	0.0014405	Pa×s	397.73	Calculated Property
η	0.0010222	Pa×s	420.13	Calculated Property
η	0.0007510	Pa×s	442.52	Calculated Property
η	0.0005684	Pa×s	464.92	Calculated Property
η	0.0004413	Pa×s	487.32	Calculated Property
η	0.0003504	Pa×s	509.72	Calculated Property
η	0.0002837	Pa×s	532.11	Calculated Property
η	0.0002336	Pa×s	554.51	Calculated Property
η	0.0001953	Pa×s	576.91	Calculated Property

Similar Compounds

Find more compounds similar to Diethyl dibromomalonate.

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.
These property values are available through the Cheméo API. A free account gives you an access key.