- InChI
- InChI=1S/C28H56O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28(29)30-2/h3-27H2,1-2H3
- InChI Key
- SCVPLVIKFSVDDH-UHFFFAOYSA-N
- Formula
- C28H56O2
- SMILES
-
CCCCCCCCCCCCCCCCCCCCCCCCCCC(=O
)OC - Molecular Weight1
- 424.74
- CAS
- 55682-91-2
- Other Names
-
- Methyl heptacosanoate
- 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).
- ΔfusH : Enthalpy of fusion at a given temperature (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 | 1.2438 | Relay (1.0) Calculated Property | |
| ΔfG° | -49.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -933.32 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 71.06 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 152.20 ± 4.50 | kJ/mol | NIST |
| IE | 10.12 | eV | Relay (1.0) Calculated Property |
| log10WS | -9.42 | Relay (1.0) Calculated Property | |
| logPoct/wat | 9.932 | Crippen Calculated Property | |
| McVol | 412.820 | ml/mol | McGowan Calculated Property |
| Pc | 671.16 | kPa | Joback Calculated Property |
| Inp | [491.00; 3027.00] |
|
|
| Inp | 3014.00 | NIST | |
| Inp | 3015.64 | NIST | |
| Inp | 3027.00 | NIST | |
| Inp | 491.00 | NIST | |
| Inp | 3014.00 | NIST | |
| Tboil | 640.05 | K | Relay (1.0) Calculated Property |
| Tc | 830.36 | K | Relay (1.0) Calculated Property |
| Tfus | 336.27 | K | Relay (1.0) Calculated Property |
| Vc | 1.628 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1416.23; 1540.54] | J/mol×K | [916.33; 1129.21] |
|
| Cp,gas | 1416.23 | J/mol×K | 916.33 | Joback Calculated Property |
| Cp,gas | 1440.70 | J/mol×K | 951.81 | Joback Calculated Property |
| Cp,gas | 1463.57 | J/mol×K | 987.29 | Joback Calculated Property |
| Cp,gas | 1484.93 | J/mol×K | 1022.77 | Joback Calculated Property |
| Cp,gas | 1504.83 | J/mol×K | 1058.25 | Joback Calculated Property |
| Cp,gas | 1523.34 | J/mol×K | 1093.73 | Joback Calculated Property |
| Cp,gas | 1540.54 | J/mol×K | 1129.21 | Joback Calculated Property |
| η | [0.0000230; 0.0006385] | Pa×s | [477.48; 916.33] |
|
| η | 0.0006385 | Pa×s | 477.48 | Joback Calculated Property |
| η | 0.0002539 | Pa×s | 550.62 | Joback Calculated Property |
| η | 0.0001253 | Pa×s | 623.76 | Joback Calculated Property |
| η | 0.0000717 | Pa×s | 696.90 | Joback Calculated Property |
| η | 0.0000457 | Pa×s | 770.05 | Joback Calculated Property |
| η | 0.0000314 | Pa×s | 843.19 | Joback Calculated Property |
| η | 0.0000230 | Pa×s | 916.33 | Joback Calculated Property |
| ΔfusH | 100.70 | kJ/mol | 336.20 | NIST |
Similar Compounds
Find more compounds similar to Heptacosanoic acid, methyl ester.
Sources
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