- InChI
- InChI=1S/C26H54/c1-4-7-10-11-12-13-14-15-16-17-18-19-20-21-22-25-26(23-8-5-2)24-9-6-3/h26H,4-25H2,1-3H3
- InChI Key
- CSRNPDQIQWQJCM-UHFFFAOYSA-N
- Formula
- C26H54
- SMILES
- CCCCCCCCCCCCCCCCCC(CCCC)CCCC
- Molecular Weight1
- 366.71
- CAS
- 55282-16-1
- Other Names
-
- 5-Butyldocosane
- 5-n-Butyldocosane
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- 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).
- ΔfH°liquid : Liquid phase 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).
- Tboilr : Boiling point at reduced pressure (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 |
|---|---|---|---|
| ΔcH°liquid | -17235.20 ± 6.70 | kJ/mol | NIST |
| ΔfG° | 165.60 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -587.40 ± 7.50 | kJ/mol | NIST |
| ΔfH°liquid | -715.50 | kJ/mol | NIST |
| ΔfusH° | 59.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 126.00 ± 0.80 | kJ/mol | NIST |
| log10WS | -10.46 | Crippen Calculated Property | |
| logPoct/wat | 10.244 | Crippen Calculated Property | |
| McVol | 377.200 | ml/mol | McGowan Calculated Property |
| Pc | 728.10 | kPa | Joback Calculated Property |
| Tboil | 793.84 | K | Joback Calculated Property |
| Tc | 971.96 | K | Joback Calculated Property |
| Tfus | 294.00 ± 0.50 | K | NIST |
| Vc | 1.486 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1216.69; 1344.42] | J/mol×K | [793.84; 971.96] | 
|
|
T(K) Ideal gas heat capacity (J/mol×K) 1220 1240 1260 1280 1300 1320 1340 800 850 900 950 | ||||
| Cp,gas | 1216.69 | J/mol×K | 793.84 | Joback Calculated Property |
| Cp,gas | 1240.72 | J/mol×K | 823.53 | Joback Calculated Property |
| Cp,gas | 1263.59 | J/mol×K | 853.21 | Joback Calculated Property |
| Cp,gas | 1285.35 | J/mol×K | 882.90 | Joback Calculated Property |
| Cp,gas | 1306.05 | J/mol×K | 912.59 | Joback Calculated Property |
| Cp,gas | 1325.72 | J/mol×K | 942.27 | Joback Calculated Property |
| Cp,gas | 1344.42 | J/mol×K | 971.96 | Joback Calculated Property |
| η | [0.0000402; 0.0023771] | Pa×s | [367.78; 793.84] |
|
|
T(K) Dynamic viscosity (Pa×s) 0 5.00e-4 1.00e-3 1.50e-3 2.00e-3 2.50e-3 400 600 800 | ||||
| η | 0.0023771 | Pa×s | 367.78 | Joback Calculated Property |
| η | 0.0006945 | Pa×s | 438.79 | Joback Calculated Property |
| η | 0.0002858 | Pa×s | 509.80 | Joback Calculated Property |
| η | 0.0001462 | Pa×s | 580.81 | Joback Calculated Property |
| η | 0.0000865 | Pa×s | 651.82 | Joback Calculated Property |
| η | 0.0000568 | Pa×s | 722.83 | Joback Calculated Property |
| η | 0.0000402 | Pa×s | 793.84 | Joback Calculated Property |
| ΔvapH | 94.00 | kJ/mol | 500.00 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 517.20 | K | 1.30 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [528.28; 701.38] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.68219e+01 | |||
| Coefficient B | -6.55756e+03 | |||
| Coefficient C | -1.31677e+02 | |||
| Temperature range, min. | 528.28 | |||
| Temperature range, max. | 701.38 | |||
|
T(K) Vapor pressure (kPa) 0 50 100 150 200 550 600 650 700 | ||||
| Pvap | 1.33 | kPa | 528.28 | Calculated Property |
| Pvap | 2.86 | kPa | 547.51 | Calculated Property |
| Pvap | 5.75 | kPa | 566.75 | Calculated Property |
| Pvap | 10.89 | kPa | 585.98 | Calculated Property |
| Pvap | 19.57 | kPa | 605.21 | Calculated Property |
| Pvap | 33.59 | kPa | 624.45 | Calculated Property |
| Pvap | 55.38 | kPa | 643.68 | Calculated Property |
| Pvap | 88.06 | kPa | 662.91 | Calculated Property |
| Pvap | 135.54 | kPa | 682.15 | Calculated Property |
| Pvap | 202.64 | kPa | 701.38 | Calculated Property |
Similar Compounds
Find more compounds similar to Docosane, 5-butyl-.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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