- 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 |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [403.35; 956.61] | 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 | 1.02530e+01 | |||
| Coefficient B | 1.66496e+00 | |||
| Coefficient C | -8.64000e-04 | |||
| Coefficient D | 1.45400e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 403.35 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 497.58 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 582.55 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 658.71 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 726.53 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 786.47 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 838.99 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 884.55 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 923.60 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 956.61 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0042093; 0.0001337] | Pa×s | [319.95; 585.64] |
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 | -1.30743e+01 | |||
| Coefficient B | 2.43286e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 319.95 | |||
| Temperature range, max. | 585.64 | |||
| η | 0.0042093 | Pa×s | 319.95 | Calculated Property |
| η | 0.0022144 | Pa×s | 349.47 | Calculated Property |
| η | 0.0012875 | Pa×s | 378.99 | Calculated Property |
| η | 0.0008097 | Pa×s | 408.51 | Calculated Property |
| η | 0.0005420 | Pa×s | 438.03 | Calculated Property |
| η | 0.0003817 | Pa×s | 467.55 | Calculated Property |
| η | 0.0002802 | Pa×s | 497.07 | Calculated Property |
| η | 0.0002130 | Pa×s | 526.59 | Calculated Property |
| η | 0.0001667 | Pa×s | 556.12 | Calculated Property |
| η | 0.0001337 | Pa×s | 585.64 | Calculated Property |
Similar Compounds
Find more compounds similar to Hexadecanoic acid, 15-methyl-, methyl ester.
Sources
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