- InChI
- InChI=1S/C22H46/c1-5-8-11-12-13-14-17-18-21(4)22(19-15-9-6-2)20-16-10-7-3/h21-22H,5-20H2,1-4H3
- InChI Key
- KVMXUBFDQJPZHC-UHFFFAOYSA-N
- Formula
- C22H46
- SMILES
- CCCCCCCCCC(C)C(CCCCC)CCCCC
- Molecular Weight1
- 310.60
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 129.48 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -507.97 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 45.69 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.79 | kJ/mol | Joback Calculated Property |
| log10WS | -8.55 | Crippen Calculated Property | |
| logPoct/wat | 8.540 | Crippen Calculated Property | |
| McVol | 320.840 | ml/mol | McGowan Calculated Property |
| Pc | 910.53 | kPa | Joback Calculated Property |
| Inp | 2000.00 | NIST | |
| Tboil | 701.88 | K | Joback Calculated Property |
| Tc | 868.08 | K | Joback Calculated Property |
| Tfus | 307.70 | K | Joback Calculated Property |
| Vc | 1.256 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [962.75; 1081.95] | J/mol×K | [701.88; 868.08] | 
|
| Cp,gas | 962.75 | J/mol×K | 701.88 | Joback Calculated Property |
| Cp,gas | 984.94 | J/mol×K | 729.58 | Joback Calculated Property |
| Cp,gas | 1006.16 | J/mol×K | 757.28 | Joback Calculated Property |
| Cp,gas | 1026.44 | J/mol×K | 784.98 | Joback Calculated Property |
| Cp,gas | 1045.81 | J/mol×K | 812.68 | Joback Calculated Property |
| Cp,gas | 1064.30 | J/mol×K | 840.38 | Joback Calculated Property |
| Cp,gas | 1081.95 | J/mol×K | 868.08 | Joback Calculated Property |
| η | [0.0000646; 0.0057276] | Pa×s | [307.70; 701.88] |
|
| η | 0.0057276 | Pa×s | 307.70 | Joback Calculated Property |
| η | 0.0014050 | Pa×s | 373.40 | Joback Calculated Property |
| η | 0.0005248 | Pa×s | 439.09 | Joback Calculated Property |
| η | 0.0002533 | Pa×s | 504.79 | Joback Calculated Property |
| η | 0.0001446 | Pa×s | 570.49 | Joback Calculated Property |
| η | 0.0000927 | Pa×s | 636.18 | Joback Calculated Property |
| η | 0.0000646 | Pa×s | 701.88 | Joback Calculated Property |
Similar Compounds
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Sources
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