- InChI
- InChI=1S/C18H36O3/c1-16(2)13-11-9-7-5-4-6-8-10-12-14-17(19)15-18(20)21-3/h16-17,19H,4-15H2,1-3H3
- InChI Key
- KQDAASZNDDREDE-UHFFFAOYSA-N
- Formula
- C18H36O3
- SMILES
- COC(=O)CC(O)CCCCCCCCCCCC(C)C
- Molecular Weight1
- 300.48
- 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° | -274.94 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -822.44 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 42.20 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.72 | kJ/mol | Joback Calculated Property |
| log10WS | -5.35 | Crippen Calculated Property | |
| logPoct/wat | 4.858 | Crippen Calculated Property | |
| McVol | 277.790 | ml/mol | McGowan Calculated Property |
| Pc | 1282.83 | kPa | Joback Calculated Property |
| Inp | [2142.00; 2142.00] |
|
|
| Inp | 2142.00 | NIST | |
| Inp | 2142.00 | NIST | |
| Tboil | 778.83 | K | Joback Calculated Property |
| Tc | 956.64 | K | Joback Calculated Property |
| Tfus | 395.60 | K | Joback Calculated Property |
| Vc | 1.075 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [867.49; 957.64] | J/mol×K | [778.83; 956.64] |
|
| Cp,gas | 867.49 | J/mol×K | 778.83 | Joback Calculated Property |
| Cp,gas | 884.65 | J/mol×K | 808.46 | Joback Calculated Property |
| Cp,gas | 900.92 | J/mol×K | 838.10 | Joback Calculated Property |
| Cp,gas | 916.33 | J/mol×K | 867.73 | Joback Calculated Property |
| Cp,gas | 930.91 | J/mol×K | 897.37 | Joback Calculated Property |
| Cp,gas | 944.67 | J/mol×K | 927.00 | Joback Calculated Property |
| Cp,gas | 957.64 | J/mol×K | 956.64 | Joback Calculated Property |
| η | [0.0000150; 0.0026782] | Pa×s | [395.60; 778.83] |
|
| η | 0.0026782 | Pa×s | 395.60 | Joback Calculated Property |
| η | 0.0006189 | Pa×s | 459.47 | Joback Calculated Property |
| η | 0.0002045 | Pa×s | 523.34 | Joback Calculated Property |
| η | 0.0000860 | Pa×s | 587.22 | Joback Calculated Property |
| η | 0.0000429 | Pa×s | 651.09 | Joback Calculated Property |
| η | 0.0000242 | Pa×s | 714.96 | Joback Calculated Property |
| η | 0.0000150 | Pa×s | 778.83 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to iso-17:0, 3-OH, methyl ester.
Sources
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