- InChI
- InChI=1S/C25H50O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(26)25(27)28-2/h24,26H,3-23H2,1-2H3
- InChI Key
- MSVLAXSCPVNLFM-UHFFFAOYSA-N
- Formula
- C25H50O3
- SMILES
-
CCCCCCCCCCCCCCCCCCCCCCC(O)C(=O
)OC - Molecular Weight1
- 398.66
- CAS
- 2433-95-6
- 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° | -213.56 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -961.64 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 63.86 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 96.69 | kJ/mol | Joback Calculated Property |
| log10WS | -8.53 | Crippen Calculated Property | |
| logPoct/wat | 7.732 | Crippen Calculated Property | |
| McVol | 376.420 | ml/mol | McGowan Calculated Property |
| Pc | 829.55 | kPa | Joback Calculated Property |
| Inp | [2868.30; 2868.30] |
|
|
| Inp | 2868.30 | NIST | |
| Inp | 2868.30 | NIST | |
| Tboil | 939.43 | K | Joback Calculated Property |
| Tc | 1161.11 | K | Joback Calculated Property |
| Tfus | 489.49 | K | Joback Calculated Property |
| Vc | 1.472 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1300.91; 1410.08] | J/mol×K | [939.43; 1161.11] |
|
| Cp,gas | 1300.91 | J/mol×K | 939.43 | Joback Calculated Property |
| Cp,gas | 1322.71 | J/mol×K | 976.38 | Joback Calculated Property |
| Cp,gas | 1342.96 | J/mol×K | 1013.32 | Joback Calculated Property |
| Cp,gas | 1361.76 | J/mol×K | 1050.27 | Joback Calculated Property |
| Cp,gas | 1379.17 | J/mol×K | 1087.22 | Joback Calculated Property |
| Cp,gas | 1395.25 | J/mol×K | 1124.16 | Joback Calculated Property |
| Cp,gas | 1410.08 | J/mol×K | 1161.11 | Joback Calculated Property |
| η | [0.0000044; 0.0004756] | Pa×s | [489.49; 939.43] |
|
| η | 0.0004756 | Pa×s | 489.49 | Joback Calculated Property |
| η | 0.0001296 | Pa×s | 564.48 | Joback Calculated Property |
| η | 0.0000479 | Pa×s | 639.47 | Joback Calculated Property |
| η | 0.0000218 | Pa×s | 714.46 | Joback Calculated Property |
| η | 0.0000115 | Pa×s | 789.45 | Joback Calculated Property |
| η | 0.0000068 | Pa×s | 864.44 | Joback Calculated Property |
| η | 0.0000044 | Pa×s | 939.43 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Methyl cerebronate.
Sources
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