- InChI
- InChI=1S/C24H48O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25/h24H,2-23H2,1H3
- InChI Key
- HGINZVDZNQJVLQ-UHFFFAOYSA-N
- Formula
- C24H48O
- SMILES
- CCCCCCCCCCCCCCCCCCCCCCCC=O
- Molecular Weight1
- 352.65
- 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 | 1.0762 | Relay (1.0) Calculated Property | |
| ΔfG° | 51.68 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -643.89 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 60.20 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 129.89 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.99 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.63 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.787 | Crippen Calculated Property | |
| McVol | 350.590 | ml/mol | McGowan Calculated Property |
| Pc | 841.13 | kPa | Joback Calculated Property |
| Inp | [2614.00; 2650.00] |
|
|
| Inp | 2614.00 | NIST | |
| Inp | 2632.40 | NIST | |
| Inp | 2650.00 | NIST | |
| Inp | 2614.00 | NIST | |
| Inp | 2632.00 | NIST | |
| Tboil | 624.42 | K | Relay (1.0) Calculated Property |
| Tc | 818.01 | K | Relay (1.0) Calculated Property |
| Tfus | 336.40 | K | Relay (1.0) Calculated Property |
| Vc | 1.391 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [519.52; 1248.29] | 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 | -7.52800e+00 | |||
| Coefficient B | 2.25832e+00 | |||
| Coefficient C | -1.27480e-03 | |||
| Coefficient D | 2.72300e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 519.52 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 643.92 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 755.45 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 854.98 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 943.36 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1021.47 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1090.15 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1150.28 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1202.70 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1248.29 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0018777; 0.0001112] | Pa×s | [402.24; 683.53] |
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 | -1.31465e+01 | |||
| Coefficient B | 2.76291e+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. | 402.24 | |||
| Temperature range, max. | 683.53 | |||
| η | 0.0018777 | Pa×s | 402.24 | Calculated Property |
| η | 0.0011443 | Pa×s | 433.49 | Calculated Property |
| η | 0.0007454 | Pa×s | 464.75 | Calculated Property |
| η | 0.0005125 | Pa×s | 496.00 | Calculated Property |
| η | 0.0003684 | Pa×s | 527.26 | Calculated Property |
| η | 0.0002748 | Pa×s | 558.51 | Calculated Property |
| η | 0.0002114 | Pa×s | 589.77 | Calculated Property |
| η | 0.0001670 | Pa×s | 621.02 | Calculated Property |
| η | 0.0001349 | Pa×s | 652.28 | Calculated Property |
| η | 0.0001112 | Pa×s | 683.53 | Calculated Property |
Similar Compounds
Find more compounds similar to TETRACOSANAL.
Sources
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