- InChI
- InChI=1S/C24H46/c1-21(23-17-11-7-12-18-23)15-9-5-3-4-6-10-16-22(2)24-19-13-8-14-20-24/h21-24H,3-20H2,1-2H3
- InChI Key
- XRYHSQOKQNAHPP-UHFFFAOYSA-N
- Formula
- C24H46
- SMILES
-
CC(CCCCCCCCC(C)C1CCCCC1)C1CCCC
C1 - Molecular Weight1
- 334.63
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,solid : Solid phase heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- ΔfusS : Entropy of fusion at a given temperature (J/mol×K).
- S°solid,1 bar : Solid phase molar entropy at standard conditions (J/mol×K).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.7047 | Relay (1.0) Calculated Property | |
| ΔfH°gas | -492.46 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 34.54 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 107.10 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.52 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 8.540 | Crippen Calculated Property | |
| McVol | 327.300 | ml/mol | McGowan Calculated Property |
| Pc | 1043.27 | kPa | Joback Calculated Property |
| S°solid,1 bar | 545.60 | J/mol×K | NIST |
| Tboil | 653.03 | K | Relay (1.0) Calculated Property |
| Tc | 857.38 | K | Relay (1.0) Calculated Property |
| Tfus | 285.01 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, 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.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,solid | 557.30 | J/mol×K | 298.10 | NIST |
| ΔfusH | [43.93; 44.27] | kJ/mol | [300.58; 300.60] | 
|
| ΔfusH | 44.27 | kJ/mol | 300.58 | NIST |
| ΔfusH | 43.93 | kJ/mol | 300.60 | NIST |
| ΔfusS | 147.30 | J/mol×K | 300.58 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [437.75; 1228.74] | 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 | -1.53502e+02 | |||
| Coefficient B | 2.53984e+00 | |||
| Coefficient C | -1.45020e-03 | |||
| Coefficient D | 2.92600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 437.75 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 576.49 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 700.36 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 810.28 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 907.18 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 991.98 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1065.62 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1129.00 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1183.07 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1228.74 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0058975; 0.0000876] | Pa×s | [345.00; 692.45] |
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 | -1.35230e+01 | |||
| Coefficient B | 2.89446e+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. | 345.00 | |||
| Temperature range, max. | 692.45 | |||
| η | 0.0058975 | Pa×s | 345.00 | Calculated Property |
| η | 0.0025350 | Pa×s | 383.61 | Calculated Property |
| η | 0.0012716 | Pa×s | 422.21 | Calculated Property |
| η | 0.0007160 | Pa×s | 460.82 | Calculated Property |
| η | 0.0004406 | Pa×s | 499.42 | Calculated Property |
| η | 0.0002907 | Pa×s | 538.03 | Calculated Property |
| η | 0.0002028 | Pa×s | 576.63 | Calculated Property |
| η | 0.0001480 | Pa×s | 615.24 | Calculated Property |
| η | 0.0001121 | Pa×s | 653.85 | Calculated Property |
| η | 0.0000876 | Pa×s | 692.45 | Calculated Property |
Similar Compounds
Find more compounds similar to 2,11-Dicyclohexyldodecane.
Sources
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