- 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° | -125.49 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -933.32 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 72.65 | 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 | 657.13 | 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 | 833.34 | K | Relay (1.0) Calculated Property |
| Tfus | 331.06 | K | Relay (1.0) Calculated Property |
| Vc | 1.629 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔfusH | 100.70 | kJ/mol | 336.20 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [615.80; 1471.98] | 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 | 2.84500e+00 | |||
| Coefficient B | 2.60904e+00 | |||
| Coefficient C | -1.40480e-03 | |||
| Coefficient D | 2.64900e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 615.80 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 761.77 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 893.08 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 1010.55 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1115.04 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1207.38 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1288.41 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1358.96 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1419.87 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1471.98 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0008453; 0.0000365] | Pa×s | [447.65; 774.14] |
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 | -1.45295e+01 | |||
| Coefficient B | 3.33664e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 447.65 | |||
| Temperature range, max. | 774.14 | |||
| η | 0.0008453 | Pa×s | 447.65 | Calculated Property |
| η | 0.0004834 | Pa×s | 483.93 | Calculated Property |
| η | 0.0002989 | Pa×s | 520.20 | Calculated Property |
| η | 0.0001968 | Pa×s | 556.48 | Calculated Property |
| η | 0.0001363 | Pa×s | 592.76 | Calculated Property |
| η | 0.0000985 | Pa×s | 629.04 | Calculated Property |
| η | 0.0000738 | Pa×s | 665.31 | Calculated Property |
| η | 0.0000569 | Pa×s | 701.59 | Calculated Property |
| η | 0.0000451 | Pa×s | 737.87 | Calculated Property |
| η | 0.0000365 | Pa×s | 774.14 | Calculated Property |
Similar Compounds
Find more compounds similar to Heptacosanoic acid, methyl ester.
Sources
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