![1',3',5',6'-Tetramethylspiro[cyclopentane-1,2'-(2,3-dihydrobenzimidazole)]](/cid/93-348-3/1-3-5-6-Tetramethylspiro-cyclopentane-1-2-2-3-dihydrobenzimidazole.png "1',3',5',6'-Tetramethylspiro[cyclopentane-1,2'-(2,3-dihydrobenzimidazole)]")
- InChI
- InChI=1S/C15H22N2/c1-11-9-13-14(10-12(11)2)17(4)15(16(13)3)7-5-6-8-15/h9-10H,5-8H2,1-4H3
- InChI Key
- WWHRITWAHDSGEL-UHFFFAOYSA-N
- Formula
- C15H22N2
- SMILES
- Cc1cc2c(cc1C)N(C)C1(CCCC1)N2C
- Molecular Weight1
- 230.35
- CAS
- 75751-20-1
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation 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).
- 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 | 0.5358 | Relay (1.0) Calculated Property | |
| ΔfG° | 308.40 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 67.70 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 79.43 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 6.35 | eV | NIST |
| log10WS | -3.69 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.460 | Crippen Calculated Property | |
| McVol | 196.690 | ml/mol | McGowan Calculated Property |
| Pc | 2280.62 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 605.97 | K | Relay (1.0) Calculated Property |
| Tc | 853.53 | K | Relay (1.0) Calculated Property |
| Tfus | 404.40 | K | Relay (1.0) Calculated Property |
| Vc | 0.709 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- McGowan Method
- NIST Webbook
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