- InChI
- InChI=1S/C29H60/c1-7-28(8-2,9-3)26-24-22-20-18-16-14-13-15-17-19-21-23-25-27-29(10-4,11-5)12-6/h7-27H2,1-6H3
- InChI Key
- BHVOFKSRUBQNNH-UHFFFAOYSA-N
- Formula
- C29H60
- SMILES
-
CCC(CC)(CC)CCCCCCCCCCCCCCCC(CC
)(CC)CC - Molecular Weight1
- 408.80
- 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).
- 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 | 0.9940 | Relay (1.0) Calculated Property | |
| ΔfG° | 198.98 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -656.27 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 56.04 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 131.90 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 11.271 | Crippen Calculated Property | |
| McVol | 419.470 | ml/mol | McGowan Calculated Property |
| Pc | 636.40 | kPa | Joback Calculated Property |
| Inp | [2795.00; 2795.00] |
|
|
| Inp | 2795.00 | NIST | |
| Inp | 2795.00 | NIST | |
| Tboil | 628.07 | K | Relay (1.0) Calculated Property |
| Tc | 827.14 | K | Relay (1.0) Calculated Property |
| Tfus | 276.78 | K | Relay (1.0) Calculated Property |
| Vc | 1.585 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [617.76; 1518.40] | 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 | -7.24190e+01 | |||
| Coefficient B | 3.01052e+00 | |||
| Coefficient C | -1.89740e-03 | |||
| Coefficient D | 4.77700e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 617.76 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 776.31 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 916.72 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 1040.49 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1149.14 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1244.17 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1327.11 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1399.45 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1462.71 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1518.40 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0012185; 0.0000346] | Pa×s | [421.43; 734.29] |
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 | -1.50678e+01 | |||
| Coefficient B | 3.52216e+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. | 421.43 | |||
| Temperature range, max. | 734.29 | |||
| η | 0.0012185 | Pa×s | 421.43 | Calculated Property |
| η | 0.0006445 | Pa×s | 456.19 | Calculated Property |
| η | 0.0003731 | Pa×s | 490.96 | Calculated Property |
| η | 0.0002322 | Pa×s | 525.72 | Calculated Property |
| η | 0.0001532 | Pa×s | 560.48 | Calculated Property |
| η | 0.0001062 | Pa×s | 595.24 | Calculated Property |
| η | 0.0000766 | Pa×s | 630.01 | Calculated Property |
| η | 0.0000572 | Pa×s | 664.77 | Calculated Property |
| η | 0.0000439 | Pa×s | 699.53 | Calculated Property |
| η | 0.0000346 | Pa×s | 734.29 | Calculated Property |
Similar Compounds
Find more compounds similar to 3,3,19,19-Tetraethylhenicosane.
Sources
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