- InChI
- InChI=1S/C11H20O4/c1-5-8(4)9(10(12)14-6-2)11(13)15-7-3/h8-9H,5-7H2,1-4H3
- InChI Key
- MIIZSUOEOUHAIZ-UHFFFAOYSA-N
- Formula
- C11H20O4
- SMILES
- CCOC(=O)C(C(=O)OCC)C(C)CC
- Molecular Weight1
- 216.27
- CAS
- 83-27-2
- Other Names
-
- Diethyl 1-methylpropylmalonate
- Diethyl s-butylmalonate
- sec-Butylmalonic acid diethyl ester
- Propanedioic acid, (1-methylpropyl)-, diethyl ester
- Malonic acid, sec-butyl-, diethyl ester
- 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).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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° | -430.98 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -770.53 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 22.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.62 | kJ/mol | Joback Calculated Property |
| log10WS | -1.67 | Crippen Calculated Property | |
| logPoct/wat | 1.775 | Crippen Calculated Property | |
| McVol | 180.730 | ml/mol | McGowan Calculated Property |
| Pc | 2131.49 | kPa | Joback Calculated Property |
| Tboil | 602.78 | K | Joback Calculated Property |
| Tc | 787.66 | K | Joback Calculated Property |
| Tfus | 328.05 | K | Joback Calculated Property |
| Vc | 0.688 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [465.83; 543.12] | J/mol×K | [602.78; 787.66] | 
|
| Cp,gas | 465.83 | J/mol×K | 602.78 | Joback Calculated Property |
| Cp,gas | 480.33 | J/mol×K | 633.59 | Joback Calculated Property |
| Cp,gas | 494.18 | J/mol×K | 664.41 | Joback Calculated Property |
| Cp,gas | 507.38 | J/mol×K | 695.22 | Joback Calculated Property |
| Cp,gas | 519.94 | J/mol×K | 726.03 | Joback Calculated Property |
| Cp,gas | 531.86 | J/mol×K | 756.85 | Joback Calculated Property |
| Cp,gas | 543.12 | J/mol×K | 787.66 | Joback Calculated Property |
| η | [0.0001484; 0.0029767] | Pa×s | [328.05; 602.78] |
|
| η | 0.0029767 | Pa×s | 328.05 | Joback Calculated Property |
| η | 0.0013297 | Pa×s | 373.84 | Joback Calculated Property |
| η | 0.0007082 | Pa×s | 419.63 | Joback Calculated Property |
| η | 0.0004269 | Pa×s | 465.41 | Joback Calculated Property |
| η | 0.0002818 | Pa×s | 511.20 | Joback Calculated Property |
| η | 0.0001992 | Pa×s | 556.99 | Joback Calculated Property |
| η | 0.0001484 | Pa×s | 602.78 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 387.00 ± 2.00 | K | 2.40 | NIST |
Similar Compounds
Find more compounds similar to Diethyl sec-butylmalonate.
Sources
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