- InChI
- InChI=1S/C12H22O4/c1-6-7-15-10(13)8-11(14)16-9(2)12(3,4)5/h9H,6-8H2,1-5H3
- InChI Key
- AEURCQIDVNSBSL-UHFFFAOYSA-N
- Formula
- C12H22O4
- SMILES
- CCCOC(=O)CC(=O)OC(C)C(C)(C)C
- Molecular Weight1
- 230.30
- 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).
- Inp : Non-polar retention indices.
- 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 | 0.6300 | Relay (1.0) Calculated Property | |
| ΔfG° | -417.28 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -952.25 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.47 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.37 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.85 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.57 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.308 | Crippen Calculated Property | |
| McVol | 194.820 | ml/mol | McGowan Calculated Property |
| Pc | 1973.55 | kPa | Joback Calculated Property |
| Inp | 1402.00 | NIST | |
| Tboil | 510.74 | K | Relay (1.0) Calculated Property |
| Tc | 686.18 | K | Relay (1.0) Calculated Property |
| Tfus | 230.58 | K | Relay (1.0) Calculated Property |
| Vc | 0.710 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [519.38; 600.40] | J/mol×K | [622.87; 811.82] | 
|
| Cp,gas | 519.38 | J/mol×K | 622.87 | Joback Calculated Property |
| Cp,gas | 534.80 | J/mol×K | 654.36 | Joback Calculated Property |
| Cp,gas | 549.44 | J/mol×K | 685.85 | Joback Calculated Property |
| Cp,gas | 563.30 | J/mol×K | 717.34 | Joback Calculated Property |
| Cp,gas | 576.41 | J/mol×K | 748.83 | Joback Calculated Property |
| Cp,gas | 588.77 | J/mol×K | 780.32 | Joback Calculated Property |
| Cp,gas | 600.40 | J/mol×K | 811.82 | Joback Calculated Property |
| η | [0.0001246; 0.0023577] | Pa×s | [356.74; 622.87] |
|
| η | 0.0023577 | Pa×s | 356.74 | Joback Calculated Property |
| η | 0.0011014 | Pa×s | 401.10 | Joback Calculated Property |
| η | 0.0005987 | Pa×s | 445.45 | Joback Calculated Property |
| η | 0.0003635 | Pa×s | 489.81 | Joback Calculated Property |
| η | 0.0002397 | Pa×s | 534.16 | Joback Calculated Property |
| η | 0.0001685 | Pa×s | 578.51 | Joback Calculated Property |
| η | 0.0001246 | Pa×s | 622.87 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Malonic acid, 3,3-dimethylbut-2-yl propyl ester.
Sources
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