- InChI
- InChI=1S/C23H48/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-23(3)21-5-2/h23H,4-22H2,1-3H3
- InChI Key
- ATAWCABZIRDUSP-UHFFFAOYSA-N
- Formula
- C23H48
- SMILES
- CCCCCCCCCCCCCCCCCCC(C)CCC
- Molecular Weight1
- 324.63
- CAS
- 25117-30-0
- Other Names
-
- Docosane, 4-methyl
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- 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).
- Pvap : Vapor pressure (kPa).
- Inp : Non-polar retention indices.
- I : 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 |
|---|---|---|---|
| ΔfG° | 140.34 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -523.33 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 51.80 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.40 | kJ/mol | Joback Calculated Property |
| log10WS | -9.21 | Crippen Calculated Property | |
| logPoct/wat | 9.074 | Crippen Calculated Property | |
| McVol | 334.930 | ml/mol | McGowan Calculated Property |
| Pc | 855.96 | kPa | Joback Calculated Property |
| Inp | [2254.30; 2260.00] |
|
|
| Inp | 2258.00 | NIST | |
| Inp | 2254.30 | NIST | |
| Inp | 2257.20 | NIST | |
| Inp | 2255.00 | NIST | |
| Inp | 2260.00 | NIST | |
| Inp | 2258.00 | NIST | |
| Inp | 2260.00 | NIST | |
| Inp | 2259.00 | NIST | |
| I | 2256.90 | NIST | |
| Tboil | 725.20 | K | Joback Calculated Property |
| Tc | 892.42 | K | Joback Calculated Property |
| Tfus | 333.97 | K | Joback Calculated Property |
| Vc | 1.317 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1024.67; 1145.09] | J/mol×K | [725.20; 892.42] |
|
| Cp,gas | 1024.67 | J/mol×K | 725.20 | Joback Calculated Property |
| Cp,gas | 1047.11 | J/mol×K | 753.07 | Joback Calculated Property |
| Cp,gas | 1068.56 | J/mol×K | 780.94 | Joback Calculated Property |
| Cp,gas | 1089.04 | J/mol×K | 808.81 | Joback Calculated Property |
| Cp,gas | 1108.60 | J/mol×K | 836.68 | Joback Calculated Property |
| Cp,gas | 1127.28 | J/mol×K | 864.55 | Joback Calculated Property |
| Cp,gas | 1145.09 | J/mol×K | 892.42 | Joback Calculated Property |
| η | [0.0000611; 0.0035428] | Pa×s | [333.97; 725.20] |
|
| η | 0.0035428 | Pa×s | 333.97 | Joback Calculated Property |
| η | 0.0010359 | Pa×s | 399.17 | Joback Calculated Property |
| η | 0.0004278 | Pa×s | 464.38 | Joback Calculated Property |
| η | 0.0002197 | Pa×s | 529.59 | Joback Calculated Property |
| η | 0.0001306 | Pa×s | 594.79 | Joback Calculated Property |
| η | 0.0000860 | Pa×s | 659.99 | Joback Calculated Property |
| η | 0.0000611 | Pa×s | 725.20 | Joback Calculated Property |
| ΔvapH | 76.30 | kJ/mol | 568.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [493.35; 676.10] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.88591e+01 | |||
| Coefficient B | -9.15203e+03 | |||
| Coefficient C | -5.54000e-01 | |||
| Temperature range, min. | 493.35 | |||
| Temperature range, max. | 676.10 | |||
| Pvap | 1.33 | kPa | 493.35 | Calculated Property |
| Pvap | 2.78 | kPa | 513.66 | Calculated Property |
| Pvap | 5.48 | kPa | 533.96 | Calculated Property |
| Pvap | 10.28 | kPa | 554.27 | Calculated Property |
| Pvap | 18.46 | kPa | 574.57 | Calculated Property |
| Pvap | 31.82 | kPa | 594.88 | Calculated Property |
| Pvap | 52.92 | kPa | 615.18 | Calculated Property |
| Pvap | 85.20 | kPa | 635.49 | Calculated Property |
| Pvap | 133.18 | kPa | 655.79 | Calculated Property |
| Pvap | 202.66 | kPa | 676.10 | Calculated Property |
Similar Compounds
Find more compounds similar to 4-Methyldocosane.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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