- InChI
- InChI=1S/C9H16O5/c1-6(2)9(12,8(11)14-4)5-7(10)13-3/h6,12H,5H2,1-4H3
- InChI Key
- OQIDMHZJNDYZLB-UHFFFAOYSA-N
- Formula
- C9H16O5
- SMILES
- COC(=O)CC(O)(C(=O)OC)C(C)C
- Molecular Weight1
- 204.22
- CAS
- 43064-52-4
- Other Names
-
- 2-Hydroxy-2-isopropyl-succinic acid dimethyl ester
- dimethyl 2-hydroxy-2-(isopropyl)succinate
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -579.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -884.95 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.79 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.93 | kJ/mol | Joback Calculated Property |
| log10WS | -0.45 | Crippen Calculated Property | |
| logPoct/wat | 0.110 | Crippen Calculated Property | |
| McVol | 158.420 | ml/mol | McGowan Calculated Property |
| Pc | 2856.62 | kPa | Joback Calculated Property |
| Inp | [1247.00; 1247.00] |
|
|
| Inp | 1247.00 | NIST | |
| Inp | 1247.00 | NIST | |
| Tboil | 646.41 | K | Joback Calculated Property |
| Tc | 832.31 | K | Joback Calculated Property |
| Tfus | 383.75 | K | Joback Calculated Property |
| Vc | 0.590 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [425.23; 483.74] | J/mol×K | [646.41; 832.31] |
|
| Cp,gas | 425.23 | J/mol×K | 646.41 | Joback Calculated Property |
| Cp,gas | 436.45 | J/mol×K | 677.39 | Joback Calculated Property |
| Cp,gas | 447.07 | J/mol×K | 708.38 | Joback Calculated Property |
| Cp,gas | 457.10 | J/mol×K | 739.36 | Joback Calculated Property |
| Cp,gas | 466.55 | J/mol×K | 770.34 | Joback Calculated Property |
| Cp,gas | 475.42 | J/mol×K | 801.33 | Joback Calculated Property |
| Cp,gas | 483.74 | J/mol×K | 832.31 | Joback Calculated Property |
| η | [0.0000467; 0.0028806] | Pa×s | [383.75; 646.41] |
|
| η | 0.0028806 | Pa×s | 383.75 | Joback Calculated Property |
| η | 0.0010196 | Pa×s | 427.53 | Joback Calculated Property |
| η | 0.0004377 | Pa×s | 471.30 | Joback Calculated Property |
| η | 0.0002169 | Pa×s | 515.08 | Joback Calculated Property |
| η | 0.0001200 | Pa×s | 558.86 | Joback Calculated Property |
| η | 0.0000724 | Pa×s | 602.63 | Joback Calculated Property |
| η | 0.0000467 | Pa×s | 646.41 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Butanedioic acid, 2-hydroxy-2-(1-methylethyl), dimethyl ester.
Sources
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