- InChI
- InChI=1S/C26H54/c1-6-8-10-12-14-16-18-20-22-25(24-26(3,4)5)23-21-19-17-15-13-11-9-7-2/h25H,6-24H2,1-5H3
- InChI Key
- JOPYPDXSWNGCTB-UHFFFAOYSA-N
- Formula
- C26H54
- SMILES
-
CCCCCCCCCCC(CCCCCCCCCC)CC(C)(C
)C - Molecular Weight1
- 366.72
- Other Names
-
- 11-(2',2'-Dimethylpropyl)heneicosane
- 11-Neopentylheneicosane
- 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).
- 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).
- 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 | 0.9548 | Relay (1.0) Calculated Property | |
| ΔfG° | 168.44 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -592.73 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 52.16 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 110.48 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.61 | eV | Relay (1.0) Calculated Property |
| log10WS | -10.27 | Relay (1.0) Calculated Property | |
| logPoct/wat | 10.100 | Crippen Calculated Property | |
| McVol | 377.200 | ml/mol | McGowan Calculated Property |
| Pc | 735.62 | kPa | Joback Calculated Property |
| Tboil | 621.17 | K | Relay (1.0) Calculated Property |
| Tc | 786.52 | K | Relay (1.0) Calculated Property |
| Tfus | [252.15; 252.20] | K |
|
| Tfus | 252.15 | K | NIST |
| Tfus | 252.20 ± 2.00 | K | NIST |
| Tfus | 252.20 ± 1.00 | K | NIST |
| Vc | 1.454 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 93.00 | kJ/mol | 493.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [555.27; 1362.70] | 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 | -4.69010e+01 | |||
| Coefficient B | 2.60560e+00 | |||
| Coefficient C | -1.56560e-03 | |||
| Coefficient D | 3.69600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 555.27 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 695.32 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 820.06 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 930.66 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1028.28 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1114.10 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1189.28 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1255.00 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1312.41 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1362.70 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.1180391; 0.0000611] | Pa×s | [252.18; 678.46] |
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 | -1.41794e+01 | |||
| Coefficient B | 3.03696e+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. | 252.18 | |||
| Temperature range, max. | 678.46 | |||
| η | 0.1180391 | Pa×s | 252.18 | Calculated Property |
| η | 0.0175815 | Pa×s | 299.55 | Calculated Property |
| η | 0.0044045 | Pa×s | 346.91 | Calculated Property |
| η | 0.0015388 | Pa×s | 394.28 | Calculated Property |
| η | 0.0006736 | Pa×s | 441.64 | Calculated Property |
| η | 0.0003461 | Pa×s | 489.00 | Calculated Property |
| η | 0.0002000 | Pa×s | 536.37 | Calculated Property |
| η | 0.0001263 | Pa×s | 583.73 | Calculated Property |
| η | 0.0000855 | Pa×s | 631.09 | Calculated Property |
| η | 0.0000611 | Pa×s | 678.46 | Calculated Property |
Similar Compounds
Find more compounds similar to Heneicosane, 11-(2,2-dimethylpropyl)-.
Sources
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