- InChI
- InChI=1S/C29H60O/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25-27-29-30-28-26-24-8-6-4-2/h3-29H2,1-2H3
- InChI Key
- LIMCJTPRXZHVLO-UHFFFAOYSA-N
- Formula
- C29H60O
- SMILES
- CCCCCCCCCCCCCCCCCCCCCCOCCCCCCC
- Molecular Weight1
- 424.79
- 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 | 1.2369 | Relay (1.0) Calculated Property | |
| ΔfG° | 88.30 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -772.62 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 72.05 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 145.12 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.81 | eV | Relay (1.0) Calculated Property |
| log10WS | -9.98 | Relay (1.0) Calculated Property | |
| logPoct/wat | 10.795 | Crippen Calculated Property | |
| McVol | 425.340 | ml/mol | McGowan Calculated Property |
| Pc | 619.10 | kPa | Joback Calculated Property |
| Inp | [2966.00; 2966.00] |
|
|
| Inp | 2966.00 | NIST | |
| Inp | 2966.00 | NIST | |
| Tboil | 641.10 | K | Relay (1.0) Calculated Property |
| Tc | 822.54 | K | Relay (1.0) Calculated Property |
| Tfus | 303.90 | K | Relay (1.0) Calculated Property |
| Vc | 1.692 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [636.08; 1533.97] | 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 | 2.02700e+00 | |||
| Coefficient B | 2.69564e+00 | |||
| Coefficient C | -1.44280e-03 | |||
| Coefficient D | 2.79100e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 636.08 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 787.46 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 923.88 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 1046.21 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1155.35 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1252.17 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1337.56 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1412.41 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1477.58 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1533.97 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0007935; 0.0000369] | Pa×s | [438.82; 763.86] |
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 | -1.43474e+01 | |||
| Coefficient B | 3.16317e+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. | 438.82 | |||
| Temperature range, max. | 763.86 | |||
| η | 0.0007935 | Pa×s | 438.82 | Calculated Property |
| η | 0.0004587 | Pa×s | 474.94 | Calculated Property |
| η | 0.0002865 | Pa×s | 511.05 | Calculated Property |
| η | 0.0001904 | Pa×s | 547.17 | Calculated Property |
| η | 0.0001331 | Pa×s | 583.28 | Calculated Property |
| η | 0.0000970 | Pa×s | 619.40 | Calculated Property |
| η | 0.0000732 | Pa×s | 655.51 | Calculated Property |
| η | 0.0000569 | Pa×s | 691.63 | Calculated Property |
| η | 0.0000454 | Pa×s | 727.75 | Calculated Property |
| η | 0.0000369 | Pa×s | 763.86 | Calculated Property |
Similar Compounds
Find more compounds similar to Docosyl heptyl ether.
Sources
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