- InChI
- InChI=1S/C17H34O2/c1-6-9-14(2)10-7-11-15(3)12-8-13-16(4)17(18)19-5/h14-16H,6-13H2,1-5H3
- InChI Key
- AJQKJNYTUWSMBZ-UHFFFAOYSA-N
- Formula
- C17H34O2
- SMILES
- CCCC(C)CCCC(C)CCCC(C)C(=O)OC
- Molecular Weight1
- 270.45
- Other Names
-
- Methyl hexadecanoate (isoprenoid)
- Tridecanoic acid, 2,6,10-trimethyl, methyl 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).
- 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° | -148.98 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -654.85 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 32.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.43 | kJ/mol | Joback Calculated Property |
| log10WS | -5.08 | Crippen Calculated Property | |
| logPoct/wat | 5.208 | Crippen Calculated Property | |
| McVol | 257.830 | ml/mol | McGowan Calculated Property |
| Pc | 1293.93 | kPa | Joback Calculated Property |
| Tboil | 663.33 | K | Joback Calculated Property |
| Tc | 837.31 | K | Joback Calculated Property |
| Tfus | 308.51 | K | Joback Calculated Property |
| Vc | 0.994 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [733.46; 835.57] | J/mol×K | [663.33; 837.31] | 
|
| Cp,gas | 733.46 | J/mol×K | 663.33 | Joback Calculated Property |
| Cp,gas | 752.60 | J/mol×K | 692.33 | Joback Calculated Property |
| Cp,gas | 770.87 | J/mol×K | 721.32 | Joback Calculated Property |
| Cp,gas | 788.28 | J/mol×K | 750.32 | Joback Calculated Property |
| Cp,gas | 804.86 | J/mol×K | 779.31 | Joback Calculated Property |
| Cp,gas | 820.61 | J/mol×K | 808.31 | Joback Calculated Property |
| Cp,gas | 835.57 | J/mol×K | 837.31 | Joback Calculated Property |
| η | [0.0000864; 0.0054749] | Pa×s | [308.51; 663.33] |
|
| η | 0.0054749 | Pa×s | 308.51 | Joback Calculated Property |
| η | 0.0015723 | Pa×s | 367.65 | Joback Calculated Property |
| η | 0.0006381 | Pa×s | 426.78 | Joback Calculated Property |
| η | 0.0003225 | Pa×s | 485.92 | Joback Calculated Property |
| η | 0.0001890 | Pa×s | 545.06 | Joback Calculated Property |
| η | 0.0001230 | Pa×s | 604.19 | Joback Calculated Property |
| η | 0.0000864 | Pa×s | 663.33 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Methyl 2,6,10-trimethyltridecanoate.
Sources
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