- InChI
- InChI=1S/C20H40O2/c1-16(2)10-7-11-17(3)12-8-13-18(4)14-9-15-19(5)20(21)22-6/h16-19H,7-15H2,1-6H3
- InChI Key
- LCWYDFQCGCPILG-UHFFFAOYSA-N
- Formula
- C20H40O2
- SMILES
-
COC(=O)C(C)CCCC(C)CCCC(C)CCCC(
C)C - Molecular Weight1
- 312.53
- CAS
- 1001-80-5
- Other Names
-
- Pentadecanoic acid, 2,6,10,14-tetramethyl-, methyl ester, (2RS,6R,10R)-
- 2,6,10,14-Tetramethylpentadecanoic acid, methyl ester
- Methyl nonadecanoate (isoprenoid)
- Pristanic acid, 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.7976 | Relay (1.0) Calculated Property | |
| ΔfG° | -126.16 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -828.25 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 36.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 93.99 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.50 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.68 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.235 | Crippen Calculated Property | |
| McVol | 300.100 | ml/mol | McGowan Calculated Property |
| Pc | 1067.97 | kPa | Joback Calculated Property |
| Tboil | 568.58 | K | Relay (1.0) Calculated Property |
| Tc | 750.97 | K | Relay (1.0) Calculated Property |
| Tfus | 247.10 | K | Relay (1.0) Calculated Property |
| Vc | 1.107 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [910.24; 1017.92] | J/mol×K | [731.53; 908.43] | 
|
| Cp,gas | 910.24 | J/mol×K | 731.53 | Joback Calculated Property |
| Cp,gas | 930.62 | J/mol×K | 761.01 | Joback Calculated Property |
| Cp,gas | 950.00 | J/mol×K | 790.50 | Joback Calculated Property |
| Cp,gas | 968.39 | J/mol×K | 819.98 | Joback Calculated Property |
| Cp,gas | 985.83 | J/mol×K | 849.46 | Joback Calculated Property |
| Cp,gas | 1002.33 | J/mol×K | 878.94 | Joback Calculated Property |
| Cp,gas | 1017.92 | J/mol×K | 908.43 | Joback Calculated Property |
| η | [0.0000532; 0.0051894] | Pa×s | [327.32; 731.53] |
|
| η | 0.0051894 | Pa×s | 327.32 | Joback Calculated Property |
| η | 0.0012608 | Pa×s | 394.69 | Joback Calculated Property |
| η | 0.0004628 | Pa×s | 462.06 | Joback Calculated Property |
| η | 0.0002192 | Pa×s | 529.42 | Joback Calculated Property |
| η | 0.0001229 | Pa×s | 596.79 | Joback Calculated Property |
| η | 0.0000775 | Pa×s | 664.16 | Joback Calculated Property |
| η | 0.0000532 | Pa×s | 731.53 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pentadecanoic acid, 2,6,10,14-tetramethyl-, methyl ester.
Sources
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