- InChI
- InChI=1S/C28H58O/c1-5-6-7-8-9-11-14-17-20-23-27(2)24-21-18-15-12-10-13-16-19-22-25-28(3)26-29-4/h27-28H,5-26H2,1-4H3
- InChI Key
- WEZDMOQZHVOWAU-UHFFFAOYSA-N
- Formula
- C28H58O
- SMILES
-
CCCCCCCCCCCC(C)CCCCCCCCCCCC(C)
COC - Molecular Weight1
- 410.76
- 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 | 1.1009 | Relay (1.0) Calculated Property | |
| ΔfG° | 75.00 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -765.66 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 62.42 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 133.62 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.70 | eV | Relay (1.0) Calculated Property |
| log10WS | -9.84 | Relay (1.0) Calculated Property | |
| logPoct/wat | 10.117 | Crippen Calculated Property | |
| McVol | 411.250 | ml/mol | McGowan Calculated Property |
| Pc | 655.11 | kPa | Joback Calculated Property |
| Inp | 2804.00 | NIST | |
| Tboil | 638.47 | K | Relay (1.0) Calculated Property |
| Tc | 817.07 | K | Relay (1.0) Calculated Property |
| Tfus | 282.62 | K | Relay (1.0) Calculated Property |
| Vc | 1.580 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [614.24; 1483.45] | 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 | -4.28000e-01 | |||
| Coefficient B | 2.61248e+00 | |||
| Coefficient C | -1.39480e-03 | |||
| Coefficient D | 2.66200e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 614.24 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 761.02 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 893.29 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 1011.89 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1117.65 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1211.42 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1294.05 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1366.37 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1429.22 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1483.45 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0014446; 0.0000372] | Pa×s | [397.55; 739.94] |
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 | -1.44500e+01 | |||
| Coefficient B | 3.14465e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 397.55 | |||
| Temperature range, max. | 739.94 | |||
| η | 0.0014446 | Pa×s | 397.55 | Calculated Property |
| η | 0.0007240 | Pa×s | 435.59 | Calculated Property |
| η | 0.0004054 | Pa×s | 473.64 | Calculated Property |
| η | 0.0002475 | Pa×s | 511.68 | Calculated Property |
| η | 0.0001617 | Pa×s | 549.72 | Calculated Property |
| η | 0.0001117 | Pa×s | 587.77 | Calculated Property |
| η | 0.0000807 | Pa×s | 625.81 | Calculated Property |
| η | 0.0000605 | Pa×s | 663.85 | Calculated Property |
| η | 0.0000468 | Pa×s | 701.90 | Calculated Property |
| η | 0.0000372 | Pa×s | 739.94 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Methoxy-2,14-dimethylpentacosane.
Sources
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