- InChI
- InChI=1S/C22H44/c1-21(2)17-13-9-5-7-11-15-19-22(3,4)20-16-12-8-6-10-14-18-21/h5-20H2,1-4H3
- InChI Key
- HEYYLLOULCSVBY-UHFFFAOYSA-N
- Formula
- C22H44
- SMILES
- CC1(C)CCCCCCCCC(C)(C)CCCCCCCC1
- Molecular Weight1
- 308.58
- CAS
- 23014-56-4
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- ΔfusH : Enthalpy of fusion at a given temperature (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).
- ΔfusS : Entropy of fusion at a given temperature (J/mol×K).
- 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 | 0.3097 | Relay (... Calculated Property | |
| ΔfG° | -5.08 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -550.10 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 7.85 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.05 | kJ/mol | Relay (... Calculated Property |
| IE | 9.13 | eV | Relay (... Calculated Property |
| log10WS | -7.97 | Relay (... Calculated Property | |
| logPoct/wat | 8.294 | Crippen Calculated Property | |
| McVol | 309.980 | ml/mol | McGowan Calculated Property |
| Pc | 1305.17 | kPa | Joback Calculated Property |
| Tboil | 664.59 | K | Relay (... Calculated Property |
| Tc | 825.70 | K | Relay (... Calculated Property |
| Tfus | [359.00; 359.00] | K |
|
| Tfus | 359.00 ± 0.20 | K | NIST |
| Tfus | 359.00 ± 1.00 | K | NIST |
| Vc | 1.035 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1010.08; 1198.35] | J/mol×K | [769.36; 1025.27] |
|
| Cp,gas | 1010.08 | J/mol×K | 769.36 | Joback Calculated Property |
| Cp,gas | 1045.86 | J/mol×K | 812.01 | Joback Calculated Property |
| Cp,gas | 1079.59 | J/mol×K | 854.66 | Joback Calculated Property |
| Cp,gas | 1111.49 | J/mol×K | 897.32 | Joback Calculated Property |
| Cp,gas | 1141.77 | J/mol×K | 939.97 | Joback Calculated Property |
| Cp,gas | 1170.65 | J/mol×K | 982.62 | Joback Calculated Property |
| Cp,gas | 1198.35 | J/mol×K | 1025.27 | Joback Calculated Property |
| ΔfusH | [39.58; 39.58] | kJ/mol | [359.00; 359.20] |
|
| ΔfusH | 39.58 | kJ/mol | 359.00 | NIST |
| ΔfusH | 39.58 | kJ/mol | 359.20 | NIST |
| ΔfusS | 110.00 | J/mol×K | 359.00 | NIST |
Similar Compounds
Find more compounds similar to 1,1,10,10-Tetramethylcyclooctadecane.
Sources
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