- InChI
- InChI=1S/C23H46O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24/h23H,2-22H2,1H3
- InChI Key
- IALIDHPAWNTXOK-UHFFFAOYSA-N
- Formula
- C23H46O
- SMILES
- CCCCCCCCCCCCCCCCCCCCCCC=O
- Molecular Weight1
- 338.61
- CAS
- 72934-02-2
- 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 | 1.0411 | Relay (1.0) Calculated Property | |
| ΔfG° | 43.26 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -623.24 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 57.62 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 124.93 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.95 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.35 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.397 | Crippen Calculated Property | |
| McVol | 336.500 | ml/mol | McGowan Calculated Property |
| Pc | 890.00 | kPa | Joback Calculated Property |
| Inp | [2511.00; 2534.40] |
|
|
| Inp | 2534.40 | NIST | |
| Inp | 2531.00 | NIST | |
| Inp | 2534.40 | NIST | |
| Inp | 2511.00 | NIST | |
| Inp | 2530.00 | NIST | |
| Inp | 2511.00 | NIST | |
| Inp | 2531.00 | NIST | |
| Tboil | 618.18 | K | Relay (1.0) Calculated Property |
| Tc | 811.40 | K | Relay (1.0) Calculated Property |
| Tfus | 334.25 | K | Relay (1.0) Calculated Property |
| Vc | 1.335 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [498.31; 1196.70] | 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 | -6.61900e+00 | |||
| Coefficient B | 2.16332e+00 | |||
| Coefficient C | -1.22040e-03 | |||
| Coefficient D | 2.60400e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 498.31 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 617.50 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 724.37 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 819.75 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 904.45 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 979.31 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1045.13 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1102.76 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1153.01 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1196.70 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0021077; 0.0001268] | Pa×s | [390.97; 664.66] |
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 | -1.29881e+01 | |||
| Coefficient B | 2.66875e+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. | 390.97 | |||
| Temperature range, max. | 664.66 | |||
| η | 0.0021077 | Pa×s | 390.97 | Calculated Property |
| η | 0.0012879 | Pa×s | 421.38 | Calculated Property |
| η | 0.0008409 | Pa×s | 451.79 | Calculated Property |
| η | 0.0005794 | Pa×s | 482.20 | Calculated Property |
| η | 0.0004172 | Pa×s | 512.61 | Calculated Property |
| η | 0.0003117 | Pa×s | 543.02 | Calculated Property |
| η | 0.0002402 | Pa×s | 573.43 | Calculated Property |
| η | 0.0001900 | Pa×s | 603.84 | Calculated Property |
| η | 0.0001537 | Pa×s | 634.25 | Calculated Property |
| η | 0.0001268 | Pa×s | 664.66 | Calculated Property |
Similar Compounds
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