- InChI
- InChI=1S/C34H70/c1-4-7-10-13-16-17-18-19-20-21-22-23-24-27-30-33-34(31-28-25-14-11-8-5-2)32-29-26-15-12-9-6-3/h34H,4-33H2,1-3H3
- InChI Key
- CDTWRIBBCOMBSI-UHFFFAOYSA-N
- Formula
- C34H70
- SMILES
-
CCCCCCCCCCCCCCCCCC(CCCCCCCC)CC
CCCCCC - Molecular Weight1
- 478.92
- CAS
- 55429-83-9
- Other Names
-
- 9-Octylhexacosane
- 9-n-Octylhexacosane
- 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).
- 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° | 232.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -750.37 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 80.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.89 | kJ/mol | Joback Calculated Property |
| log10WS | -13.81 | Crippen Calculated Property | |
| logPoct/wat | 13.365 | Crippen Calculated Property | |
| McVol | 489.920 | ml/mol | McGowan Calculated Property |
| Pc | 499.58 | kPa | Joback Calculated Property |
| Tboil | 976.88 | K | Joback Calculated Property |
| Tc | 1226.77 | K | Joback Calculated Property |
| Tfus | 296.00 ± 1.00 | K | NIST |
| Vc | 1.933 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1756.03; 1917.55] | J/mol×K | [976.88; 1226.77] | 
|
| Cp,gas | 1756.03 | J/mol×K | 976.88 | Joback Calculated Property |
| Cp,gas | 1787.83 | J/mol×K | 1018.53 | Joback Calculated Property |
| Cp,gas | 1817.45 | J/mol×K | 1060.18 | Joback Calculated Property |
| Cp,gas | 1845.07 | J/mol×K | 1101.83 | Joback Calculated Property |
| Cp,gas | 1870.84 | J/mol×K | 1143.48 | Joback Calculated Property |
| Cp,gas | 1894.95 | J/mol×K | 1185.12 | Joback Calculated Property |
| Cp,gas | 1917.55 | J/mol×K | 1226.77 | Joback Calculated Property |
| η | [0.0000119; 0.0007325] | Pa×s | [457.94; 976.88] |
|
| η | 0.0007325 | Pa×s | 457.94 | Joback Calculated Property |
| η | 0.0002138 | Pa×s | 544.43 | Joback Calculated Property |
| η | 0.0000875 | Pa×s | 630.92 | Joback Calculated Property |
| η | 0.0000444 | Pa×s | 717.41 | Joback Calculated Property |
| η | 0.0000261 | Pa×s | 803.90 | Joback Calculated Property |
| η | 0.0000170 | Pa×s | 890.39 | Joback Calculated Property |
| η | 0.0000119 | Pa×s | 976.88 | Joback Calculated Property |
| ΔvapH | 110.30 | kJ/mol | 556.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [572.00; 792.15] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.50131e+01 | |||
| Coefficient B | -6.26024e+03 | |||
| Coefficient C | -1.46870e+02 | |||
| Temperature range, min. | 572.00 | |||
| Temperature range, max. | 792.15 | |||
| Pvap | 1.33 | kPa | 572.00 | Calculated Property |
| Pvap | 2.97 | kPa | 596.46 | Calculated Property |
| Pvap | 6.09 | kPa | 620.92 | Calculated Property |
| Pvap | 11.65 | kPa | 645.38 | Calculated Property |
| Pvap | 20.96 | kPa | 669.84 | Calculated Property |
| Pvap | 35.78 | kPa | 694.31 | Calculated Property |
| Pvap | 58.36 | kPa | 718.77 | Calculated Property |
| Pvap | 91.43 | kPa | 743.23 | Calculated Property |
| Pvap | 138.27 | kPa | 767.69 | Calculated Property |
| Pvap | 202.65 | kPa | 792.15 | Calculated Property |
Similar Compounds
Find more compounds similar to Hexacosane, 9-octyl-.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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