- InChI
- InChI=1S/C9H16O6/c1-3-14-7(12)9(5-10,6-11)8(13)15-4-2/h10-11H,3-6H2,1-2H3
- InChI Key
- WIOHBOKEUIHYIC-UHFFFAOYSA-N
- Formula
- C9H16O6
- SMILES
- CCOC(=O)C(CO)(CO)C(=O)OCC
- Molecular Weight1
- 220.22
- CAS
- 20605-01-0
- Other Names
-
- Propanedioic acid, bis(hydroxymethyl)-, diethyl ester
- ω : Acentric Factor.
- 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).
- ΔfusH° : Enthalpy of fusion 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 | 0.8915 | Relay (1.0) Calculated Property | |
| ΔfG° | -866.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1125.45 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 28.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.92 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.08 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.27 | Relay (1.0) Calculated Property | |
| logPoct/wat | -0.916 | Crippen Calculated Property | |
| McVol | 164.290 | ml/mol | McGowan Calculated Property |
| Pc | 2862.74 | kPa | Joback Calculated Property |
| Tboil | 569.63 | K | Relay (1.0) Calculated Property |
| Tc | 788.62 | K | Relay (1.0) Calculated Property |
| Tfus | 350.82 | K | Relay (1.0) Calculated Property |
| Vc | 0.592 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [468.40; 516.70] | J/mol×K | [703.09; 878.29] | 
|
| Cp,gas | 468.40 | J/mol×K | 703.09 | Joback Calculated Property |
| Cp,gas | 477.90 | J/mol×K | 732.29 | Joback Calculated Property |
| Cp,gas | 486.80 | J/mol×K | 761.49 | Joback Calculated Property |
| Cp,gas | 495.12 | J/mol×K | 790.69 | Joback Calculated Property |
| Cp,gas | 502.87 | J/mol×K | 819.89 | Joback Calculated Property |
| Cp,gas | 510.06 | J/mol×K | 849.09 | Joback Calculated Property |
| Cp,gas | 516.70 | J/mol×K | 878.29 | Joback Calculated Property |
| η | [0.0000076; 0.0032321] | Pa×s | [399.91; 703.09] |
|
| η | 0.0032321 | Pa×s | 399.91 | Joback Calculated Property |
| η | 0.0006686 | Pa×s | 450.44 | Joback Calculated Property |
| η | 0.0001901 | Pa×s | 500.97 | Joback Calculated Property |
| η | 0.0000680 | Pa×s | 551.50 | Joback Calculated Property |
| η | 0.0000289 | Pa×s | 602.03 | Joback Calculated Property |
| η | 0.0000141 | Pa×s | 652.56 | Joback Calculated Property |
| η | 0.0000076 | Pa×s | 703.09 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethyl bis(hydroxymethyl)malonate.
Sources
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