- 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
- 270.46
- Other Names
-
- Methyl hexadecanoate (isoprenoid)
- Tridecanoic acid, 2,6,10-trimethyl, methyl ester
- ω : Acentric Factor.
- 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).
- 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 |
|---|---|---|---|
| ω | 0.7206 | Relay (1.0) Calculated Property | |
| ΔfG° | -225.43 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -746.29 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 33.59 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.22 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 5.208 | Crippen Calculated Property | |
| McVol | 257.830 | ml/mol | McGowan Calculated Property |
| Pc | 1256.59 | kPa | Joback Calculated Property |
| Tboil | 537.37 | K | Relay (1.0) Calculated Property |
| Tc | 731.66 | K | Relay (1.0) Calculated Property |
| Tfus | 231.59 | K | Relay (1.0) Calculated Property |
| Vc | 0.949 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [724.46; 827.70] | J/mol×K | [645.46; 816.96] | 
|
| Cp,gas | 724.46 | J/mol×K | 645.46 | Joback Calculated Property |
| Cp,gas | 743.84 | J/mol×K | 674.04 | Joback Calculated Property |
| Cp,gas | 762.33 | J/mol×K | 702.63 | Joback Calculated Property |
| Cp,gas | 779.94 | J/mol×K | 731.21 | Joback Calculated Property |
| Cp,gas | 796.69 | J/mol×K | 759.79 | Joback Calculated Property |
| Cp,gas | 812.60 | J/mol×K | 788.38 | Joback Calculated Property |
| Cp,gas | 827.70 | J/mol×K | 816.96 | Joback Calculated Property |
| η | [0.0000784; 0.0107763] | Pa×s | [278.68; 645.46] |
|
| η | 0.0107763 | Pa×s | 278.68 | Joback Calculated Property |
| η | 0.0022679 | Pa×s | 339.81 | Joback Calculated Property |
| η | 0.0007676 | Pa×s | 400.94 | Joback Calculated Property |
| η | 0.0003461 | Pa×s | 462.07 | Joback Calculated Property |
| η | 0.0001880 | Pa×s | 523.20 | Joback Calculated Property |
| η | 0.0001160 | Pa×s | 584.33 | Joback Calculated Property |
| η | 0.0000784 | Pa×s | 645.46 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to METHYL 2,6,10-TRIMETHYLTRIDECANOATE.
Sources
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