- InChI
- InChI=1S/C28H58O/c1-6-7-8-16-20-26(2)23-19-24-27(3)21-17-14-12-10-9-11-13-15-18-22-28(4)25-29-5/h26-28H,6-25H2,1-5H3
- InChI Key
- ZQYZHPCBLFRFRW-UHFFFAOYSA-N
- Formula
- C28H58O
- SMILES
-
CCCCCCC(C)CCCC(C)CCCCCCCCCCCC(
C)COC - 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 | 1.0592 | Relay (1.0) Calculated Property | |
| ΔfG° | 72.56 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -787.72 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 58.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 128.00 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.59 | eV | Relay (1.0) Calculated Property |
| log10WS | -9.76 | Relay (1.0) Calculated Property | |
| logPoct/wat | 9.973 | Crippen Calculated Property | |
| McVol | 411.250 | ml/mol | McGowan Calculated Property |
| Pc | 657.80 | kPa | Joback Calculated Property |
| Inp | 2839.00 | NIST | |
| Tboil | 639.99 | K | Relay (1.0) Calculated Property |
| Tc | 816.34 | K | Relay (1.0) Calculated Property |
| Tfus | 260.43 | K | Relay (1.0) Calculated Property |
| Vc | 1.563 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [613.93; 1483.99] | 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 | -2.11000e+00 | |||
| Coefficient B | 2.61840e+00 | |||
| Coefficient C | -1.39800e-03 | |||
| Coefficient D | 2.65700e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 613.93 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 761.01 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 893.54 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 1012.34 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1118.25 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1212.13 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1294.80 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1367.10 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1429.89 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1483.99 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0019020; 0.0000344] | Pa×s | [382.55; 739.09] |
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 | -1.45840e+01 | |||
| Coefficient B | 3.18247e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 382.55 | |||
| Temperature range, max. | 739.09 | |||
| η | 0.0019020 | Pa×s | 382.55 | Calculated Property |
| η | 0.0008713 | Pa×s | 422.17 | Calculated Property |
| η | 0.0004564 | Pa×s | 461.78 | Calculated Property |
| η | 0.0002647 | Pa×s | 501.40 | Calculated Property |
| η | 0.0001663 | Pa×s | 541.01 | Calculated Property |
| η | 0.0001113 | Pa×s | 580.63 | Calculated Property |
| η | 0.0000785 | Pa×s | 620.24 | Calculated Property |
| η | 0.0000577 | Pa×s | 659.86 | Calculated Property |
| η | 0.0000439 | Pa×s | 699.48 | Calculated Property |
| η | 0.0000344 | Pa×s | 739.09 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Methoxy-2,14,18-trimethylpentacosane.
Sources
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