- InChI
- InChI=1S/C28H58O/c1-4-28(2)26-24-22-20-18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-21-23-25-27-29-3/h28H,4-27H2,1-3H3
- InChI Key
- MECKMJRUUFOPDC-UHFFFAOYSA-N
- Formula
- C28H58O
- SMILES
-
CCC(C)CCCCCCCCCCCCCCCCCCCCCCCO
C - Molecular Weight1
- 410.77
- 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 | 1.1427 | Relay (1.0) Calculated Property | |
| ΔfG° | 77.44 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -759.20 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 65.94 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 140.63 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.90 | eV | Relay (1.0) Calculated Property |
| log10WS | -9.80 | Relay (1.0) Calculated Property | |
| logPoct/wat | 10.261 | Crippen Calculated Property | |
| McVol | 411.250 | ml/mol | McGowan Calculated Property |
| Pc | 652.43 | kPa | Joback Calculated Property |
| Inp | 2905.00 | NIST | |
| Tboil | 638.64 | K | Relay (1.0) Calculated Property |
| Tc | 815.93 | K | Relay (1.0) Calculated Property |
| Tfus | 309.28 | K | Relay (1.0) Calculated Property |
| Vc | 1.595 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [614.56; 1482.91] | 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 | 1.25400e+00 | |||
| Coefficient B | 2.60656e+00 | |||
| Coefficient C | -1.39160e-03 | |||
| Coefficient D | 2.66700e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 614.56 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 761.04 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 893.05 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 1011.44 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1117.04 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1210.72 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1293.30 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1365.63 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1428.55 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1482.91 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0011304; 0.0000402] | Pa×s | [412.55; 740.89] |
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 | -1.43160e+01 | |||
| Coefficient B | 3.10683e+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. | 412.55 | |||
| Temperature range, max. | 740.89 | |||
| η | 0.0011304 | Pa×s | 412.55 | Calculated Property |
| η | 0.0006131 | Pa×s | 449.03 | Calculated Property |
| η | 0.0003645 | Pa×s | 485.51 | Calculated Property |
| η | 0.0002331 | Pa×s | 522.00 | Calculated Property |
| η | 0.0001580 | Pa×s | 558.48 | Calculated Property |
| η | 0.0001123 | Pa×s | 594.96 | Calculated Property |
| η | 0.0000831 | Pa×s | 631.44 | Calculated Property |
| η | 0.0000635 | Pa×s | 667.92 | Calculated Property |
| η | 0.0000499 | Pa×s | 704.41 | Calculated Property |
| η | 0.0000402 | Pa×s | 740.89 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Methoxy-24-methylhexacosane.
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