- InChI
- InChI=1S/C13H26O3/c1-3-4-5-6-7-8-9-10-11-12(14)13(15)16-2/h12,14H,3-11H2,1-2H3
- InChI Key
- NHEBEMJQYBPWNA-UHFFFAOYSA-N
- Formula
- C13H26O3
- SMILES
- CCCCCCCCCCC(O)C(=O)OC
- Molecular Weight1
- 230.34
- CAS
- 51067-85-7
- 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° | -314.60 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -713.96 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 32.78 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.98 | kJ/mol | Joback Calculated Property |
| log10WS | -3.50 | Crippen Calculated Property | |
| logPoct/wat | 3.051 | Crippen Calculated Property | |
| McVol | 207.340 | ml/mol | McGowan Calculated Property |
| Pc | 1857.91 | kPa | Joback Calculated Property |
| Inp | [1619.00; 1627.00] |
|
|
| Inp | 1627.00 | NIST | |
| Inp | 1619.00 | NIST | |
| Inp | 1627.00 | NIST | |
| Inp | 1619.00 | NIST | |
| Tboil | 664.87 | K | Joback Calculated Property |
| Tc | 833.68 | K | Joback Calculated Property |
| Tfus | 354.25 | K | Joback Calculated Property |
| Vc | 0.800 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [583.63; 660.93] | J/mol×K | [664.87; 833.68] |
|
| Cp,gas | 583.63 | J/mol×K | 664.87 | Joback Calculated Property |
| Cp,gas | 598.06 | J/mol×K | 693.00 | Joback Calculated Property |
| Cp,gas | 611.86 | J/mol×K | 721.14 | Joback Calculated Property |
| Cp,gas | 625.04 | J/mol×K | 749.27 | Joback Calculated Property |
| Cp,gas | 637.60 | J/mol×K | 777.41 | Joback Calculated Property |
| Cp,gas | 649.56 | J/mol×K | 805.54 | Joback Calculated Property |
| Cp,gas | 660.93 | J/mol×K | 833.68 | Joback Calculated Property |
| η | [0.0000414; 0.0051687] | Pa×s | [354.25; 664.87] |
|
| η | 0.0051687 | Pa×s | 354.25 | Joback Calculated Property |
| η | 0.0013843 | Pa×s | 406.02 | Joback Calculated Property |
| η | 0.0004994 | Pa×s | 457.79 | Joback Calculated Property |
| η | 0.0002217 | Pa×s | 509.56 | Joback Calculated Property |
| η | 0.0001143 | Pa×s | 561.33 | Joback Calculated Property |
| η | 0.0000659 | Pa×s | 613.10 | Joback Calculated Property |
| η | 0.0000414 | Pa×s | 664.87 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Methyl 2-hydroxydodecanoate.
Sources
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