- 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
- ω : Acentric Factor.
- 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).
- 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).
- 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 |
|---|---|---|---|
| ω | 1.0159 | Relay (1.0) Calculated Property | |
| 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 |
| IE | 9.76 | eV | Relay (1.0) Calculated Property |
| log10WS | -10.17 | Relay (1.0) 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 | 616.32 | K | Relay (1.0) Calculated Property |
| Tc | 789.37 | K | Relay (1.0) Calculated Property |
| Tfus | 294.00 ± 0.50 | K | NIST |
| Vc | 1.469 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| 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 |
|---|---|---|---|---|
| Cp,gas | [556.73; 1361.23] | 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 | -2.24280e+01 | |||
| Coefficient B | 2.47976e+00 | |||
| Coefficient C | -1.39380e-03 | |||
| Coefficient D | 2.97700e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 556.73 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 693.59 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 816.39 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 926.07 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1023.56 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1109.81 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1185.76 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1252.36 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1310.53 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1361.23 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0160223; 0.0000722] | Pa×s | [294.00; 680.54] |
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 | -1.36454e+01 | |||
| Coefficient B | 2.79642e+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. | 294.00 | |||
| Temperature range, max. | 680.54 | |||
| η | 0.0160223 | Pa×s | 294.00 | Calculated Property |
| η | 0.0047664 | Pa×s | 336.95 | Calculated Property |
| η | 0.0018651 | Pa×s | 379.90 | Calculated Property |
| η | 0.0008831 | Pa×s | 422.85 | Calculated Property |
| η | 0.0004799 | Pa×s | 465.80 | Calculated Property |
| η | 0.0002891 | Pa×s | 508.75 | Calculated Property |
| η | 0.0001885 | Pa×s | 551.70 | Calculated Property |
| η | 0.0001307 | Pa×s | 594.64 | Calculated Property |
| η | 0.0000952 | Pa×s | 637.59 | Calculated Property |
| η | 0.0000722 | Pa×s | 680.54 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [528.28; 701.38] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| 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 | |||
| 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
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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