- InChI
- InChI=1S/C19H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h13-14H,3-12,15-18H2,1-2H3/b14-13+
- InChI Key
- QRTVDKVXAFJVRU-BUHFOSPRSA-N
- Formula
- C19H36O2
- SMILES
- CCCCCCCCCCCC=CCCCCC(=O)OC
- Molecular Weight1
- 296.49
- CAS
- 52355-31-4
- Other Names
-
- Methyl 6-octadecenoate
- 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.
- I : 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 | 0.8481 | Relay (1.0) Calculated Property | |
| ΔfG° | -121.05 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -682.21 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 49.54 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 103.99 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.97 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.30 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.197 | Crippen Calculated Property | |
| McVol | 281.710 | ml/mol | McGowan Calculated Property |
| Pc | 1122.31 | kPa | Joback Calculated Property |
| Inp | 2081.00 | NIST | |
| I | [2383.00; 2383.00] |
|
|
| I | 2383.00 | NIST | |
| I | 2383.00 | NIST | |
| Tboil | 586.78 | K | Relay (1.0) Calculated Property |
| Tc | 771.84 | K | Relay (1.0) Calculated Property |
| Tfus | 278.31 | K | Relay (1.0) Calculated Property |
| Vc | 1.068 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [410.88; 977.08] | 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 | -3.15600e+00 | |||
| Coefficient B | 1.77404e+00 | |||
| Coefficient C | -9.99000e-04 | |||
| Coefficient D | 2.05200e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 410.88 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 508.51 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 595.95 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 673.85 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 742.84 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 803.59 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 856.74 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 902.94 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 942.84 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 977.08 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0025879; 0.0001092] | Pa×s | [341.14; 607.04] |
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 | -1.31840e+01 | |||
| Coefficient B | 2.46544e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 341.14 | |||
| Temperature range, max. | 607.04 | |||
| η | 0.0025879 | Pa×s | 341.14 | Calculated Property |
| η | 0.0014548 | Pa×s | 370.68 | Calculated Property |
| η | 0.0008904 | Pa×s | 400.23 | Calculated Property |
| η | 0.0005830 | Pa×s | 429.77 | Calculated Property |
| η | 0.0004031 | Pa×s | 459.32 | Calculated Property |
| η | 0.0002914 | Pa×s | 488.86 | Calculated Property |
| η | 0.0002186 | Pa×s | 518.40 | Calculated Property |
| η | 0.0001692 | Pa×s | 547.95 | Calculated Property |
| η | 0.0001344 | Pa×s | 577.49 | Calculated Property |
| η | 0.0001092 | Pa×s | 607.04 | Calculated Property |
Similar Compounds
Find more compounds similar to 6-Octadecenoic acid, methyl ester.
Sources
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