- InChI
- InChI=1S/C18H36O2/c1-17(2)15-13-11-9-7-5-4-6-8-10-12-14-16-18(19)20-3/h17H,4-16H2,1-3H3
- InChI Key
- BNHKXOIJKIMOJH-UHFFFAOYSA-N
- Formula
- C18H36O2
- SMILES
- COC(=O)CCCCCCCCCCCCCC(C)C
- Molecular Weight1
- 284.48
- CAS
- 6929-04-0
- Other Names
-
- Methyl isoheptadecanoate
- Methyl 15-methylhexadecanoate
- 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).
- 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 |
|---|---|---|---|
| ω | 0.8600 | Relay (1.0) Calculated Property | |
| ΔfG° | -212.13 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -733.79 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 43.22 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 99.10 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.76 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.43 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.887 | Crippen Calculated Property | |
| McVol | 271.920 | ml/mol | McGowan Calculated Property |
| Pc | 1162.45 | kPa | Joback Calculated Property |
| Inp | [1970.00; 1996.00] |
|
|
| Inp | 1974.00 | NIST | |
| Inp | 1974.00 | NIST | |
| Inp | 1990.00 | NIST | |
| Inp | 1996.00 | NIST | |
| Inp | 1970.00 | NIST | |
| Inp | 1970.00 | NIST | |
| Tboil | 574.41 | K | Relay (1.0) Calculated Property |
| Tc | 759.64 | K | Relay (1.0) Calculated Property |
| Tfus | 293.71 | K | Relay (1.0) Calculated Property |
| Vc | 1.047 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [781.11; 883.59] | J/mol×K | [669.22; 836.62] |
|
| Cp,gas | 781.11 | J/mol×K | 669.22 | Joback Calculated Property |
| Cp,gas | 800.31 | J/mol×K | 697.12 | Joback Calculated Property |
| Cp,gas | 818.63 | J/mol×K | 725.02 | Joback Calculated Property |
| Cp,gas | 836.10 | J/mol×K | 752.92 | Joback Calculated Property |
| Cp,gas | 852.74 | J/mol×K | 780.82 | Joback Calculated Property |
| Cp,gas | 868.57 | J/mol×K | 808.72 | Joback Calculated Property |
| Cp,gas | 883.59 | J/mol×K | 836.62 | Joback Calculated Property |
| η | [0.0000796; 0.0042093] | Pa×s | [319.95; 669.22] |
|
| η | 0.0042093 | Pa×s | 319.95 | Joback Calculated Property |
| η | 0.0013058 | Pa×s | 378.16 | Joback Calculated Property |
| η | 0.0005536 | Pa×s | 436.37 | Joback Calculated Property |
| η | 0.0002872 | Pa×s | 494.59 | Joback Calculated Property |
| η | 0.0001711 | Pa×s | 552.80 | Joback Calculated Property |
| η | 0.0001125 | Pa×s | 611.01 | Joback Calculated Property |
| η | 0.0000796 | Pa×s | 669.22 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Hexadecanoic acid, 15-methyl-, methyl ester.
Sources
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