- InChI
- InChI=1S/C5H8O4/c1-2-3(4(6)7)5(8)9/h3H,2H2,1H3,(H,6,7)(H,8,9)
- InChI Key
- UKFXDFUAPNAMPJ-UHFFFAOYSA-N
- Formula
- C5H8O4
- SMILES
- CCC(C(=O)O)C(=O)O
- Molecular Weight1
- 132.11
- CAS
- 601-75-2
- Other Names
-
- 1,1-Propanedicarboxylic acid
- Malonic acid, ethyl-
- Propanedioic acid, ethyl-
- «alpha»-Carboxybutyric acid
- ω : Acentric Factor.
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔsubH° : Enthalpy of sublimation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.7458 | Relay (1.0) Calculated Property | |
| ΔcH°solid | -2172.20 | kJ/mol | NIST |
| ΔfG° | -699.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -849.80 ± 1.10 | kJ/mol | NIST |
| ΔfH°solid | -955.30 ± 1.00 | kJ/mol | NIST |
| ΔfusH° | 25.47 | kJ/mol | Joback Calculated Property |
| ΔsubH° | [105.50; 112.80] | kJ/mol |
|
| ΔsubH° | 112.80 ± 2.20 | kJ/mol | NIST |
| ΔsubH° | 105.50 ± 0.50 | kJ/mol | NIST |
| ΔsubH° | 105.50 | kJ/mol | NIST |
| ΔvapH° | 62.64 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.65 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.37 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.182 | Crippen Calculated Property | |
| McVol | 96.190 | ml/mol | McGowan Calculated Property |
| Pc | 4374.18 | kPa | Joback Calculated Property |
| Tboil | 492.59 | K | Relay (1.0) Calculated Property |
| Tc | 708.32 | K | Relay (1.0) Calculated Property |
| Tfus | [384.00; 386.65] | K |
|
| Tfus | 386.65 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | 384.00 ± 3.00 | K | NIST |
| Vc | 0.347 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [138.48; 299.38] | 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 | 5.86100e+00 | |||
| Coefficient B | 5.86320e-01 | |||
| Coefficient C | -3.96600e-04 | |||
| Coefficient D | 1.03800e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 138.48 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 168.25 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 194.27 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 216.89 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 236.43 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 253.21 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 267.57 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 279.83 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 290.33 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 299.38 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0022687; 0.0003105] | Pa×s | [385.32; 570.95] |
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 | -1.22053e+01 | |||
| Coefficient B | 2.35694e+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. | 385.32 | |||
| Temperature range, max. | 570.95 | |||
| η | 0.0022687 | Pa×s | 385.32 | Calculated Property |
| η | 0.0016627 | Pa×s | 405.95 | Calculated Property |
| η | 0.0012557 | Pa×s | 426.57 | Calculated Property |
| η | 0.0009732 | Pa×s | 447.20 | Calculated Property |
| η | 0.0007715 | Pa×s | 467.82 | Calculated Property |
| η | 0.0006236 | Pa×s | 488.45 | Calculated Property |
| η | 0.0005129 | Pa×s | 509.07 | Calculated Property |
| η | 0.0004283 | Pa×s | 529.70 | Calculated Property |
| η | 0.0003625 | Pa×s | 550.32 | Calculated Property |
| η | 0.0003105 | Pa×s | 570.95 | Calculated Property |
Similar Compounds
Find more compounds similar to Ethylmalonic acid.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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