- InChI
- InChI=1S/C21H44/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(3,4)6-2/h5-20H2,1-4H3
- InChI Key
- HPNIGXOUZOTKHD-UHFFFAOYSA-N
- Formula
- C21H44
- SMILES
- CCCCCCCCCCCCCCCCC(C)(C)CC
- Molecular Weight1
- 296.57
- 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).
- 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).
- Inp : Non-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 |
|---|---|---|---|
| ω | 0.8177 | Relay (1.0) Calculated Property | |
| ΔfG° | 128.78 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -499.59 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 42.73 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 99.83 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.59 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.88 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.294 | Crippen Calculated Property | |
| McVol | 306.750 | ml/mol | McGowan Calculated Property |
| Pc | 967.47 | kPa | Joback Calculated Property |
| Inp | 2042.00 | NIST | |
| Tboil | 584.03 | K | Relay (1.0) Calculated Property |
| Tc | 758.83 | K | Relay (1.0) Calculated Property |
| Tfus | 270.71 | K | Relay (1.0) Calculated Property |
| Vc | 1.196 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [449.51; 1104.21] | 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 | -4.06740e+01 | |||
| Coefficient B | 2.12468e+00 | |||
| Coefficient C | -1.29040e-03 | |||
| Coefficient D | 3.10600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 449.51 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 563.24 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 664.43 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 754.06 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 833.12 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 902.59 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 963.45 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1016.69 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1063.28 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1104.21 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0037943; 0.0001263] | Pa×s | [328.85; 589.94] |
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 | -1.32627e+01 | |||
| Coefficient B | 2.52834e+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. | 328.85 | |||
| Temperature range, max. | 589.94 | |||
| η | 0.0037943 | Pa×s | 328.85 | Calculated Property |
| η | 0.0020345 | Pa×s | 357.86 | Calculated Property |
| η | 0.0011977 | Pa×s | 386.87 | Calculated Property |
| η | 0.0007592 | Pa×s | 415.88 | Calculated Property |
| η | 0.0005107 | Pa×s | 444.89 | Calculated Property |
| η | 0.0003607 | Pa×s | 473.90 | Calculated Property |
| η | 0.0002651 | Pa×s | 502.91 | Calculated Property |
| η | 0.0002015 | Pa×s | 531.92 | Calculated Property |
| η | 0.0001576 | Pa×s | 560.93 | Calculated Property |
| η | 0.0001263 | Pa×s | 589.94 | Calculated Property |
Similar Compounds
Find more compounds similar to 3,3-Dimethylnonadecane.
Sources
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