- 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.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [381.51; 906.10] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 7.79800e+00 | |||
| Coefficient B | 1.58180e+00 | |||
| Coefficient C | -8.16000e-04 | |||
| Coefficient D | 1.32500e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 381.51 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 471.14 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 551.96 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 624.38 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 688.83 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 745.72 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 795.47 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 838.51 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 875.24 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 906.10 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0107763; 0.0001269] | Pa×s | [278.68; 571.87] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.31939e+01 | |||
| Coefficient B | 2.41434e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 278.68 | |||
| Temperature range, max. | 571.87 | |||
| η | 0.0107763 | Pa×s | 278.68 | Calculated Property |
| η | 0.0043519 | Pa×s | 311.26 | Calculated Property |
| η | 0.0020869 | Pa×s | 343.83 | Calculated Property |
| η | 0.0011365 | Pa×s | 376.41 | Calculated Property |
| η | 0.0006819 | Pa×s | 408.99 | Calculated Property |
| η | 0.0004411 | Pa×s | 441.57 | Calculated Property |
| η | 0.0003030 | Pa×s | 474.14 | Calculated Property |
| η | 0.0002184 | Pa×s | 506.72 | Calculated Property |
| η | 0.0001638 | Pa×s | 539.30 | Calculated Property |
| η | 0.0001269 | Pa×s | 571.87 | Calculated Property |
Similar Compounds
Find more compounds similar to METHYL 2,6,10-TRIMETHYLTRIDECANOATE.
Sources
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