- InChI
- InChI=1S/C10H16S/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9,11H,1-6H2
- InChI Key
- ADJJLNODXLXTIH-UHFFFAOYSA-N
- Formula
- C10H16S
- SMILES
- SC12CC3CC(CC(C3)C1)C2
- Molecular Weight1
- 168.30
- CAS
- 34301-54-7
- Other Names
-
- Tricyclo[3.3.1.1
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 219.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -4.11 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 12.78 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 43.04 | kJ/mol | Joback Calculated Property |
| IE | [8.60; 8.78] | eV |
|
| IE | 8.60 | eV | NIST |
| IE | 8.78 | eV | NIST |
| log10WS | -3.15 | Crippen Calculated Property | |
| logPoct/wat | 2.885 | Crippen Calculated Property | |
| McVol | 135.530 | ml/mol | McGowan Calculated Property |
| Pc | 3513.74 | kPa | Joback Calculated Property |
| Tboil | 511.12 | K | Joback Calculated Property |
| Tc | 758.94 | K | Joback Calculated Property |
| Tfus | 308.88 | K | Joback Calculated Property |
| Vc | 0.509 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [332.46; 434.59] | J/mol×K | [511.12; 758.94] |
|
| Cp,gas | 332.46 | J/mol×K | 511.12 | Joback Calculated Property |
| Cp,gas | 353.30 | J/mol×K | 552.42 | Joback Calculated Property |
| Cp,gas | 372.24 | J/mol×K | 593.73 | Joback Calculated Property |
| Cp,gas | 389.57 | J/mol×K | 635.03 | Joback Calculated Property |
| Cp,gas | 405.55 | J/mol×K | 676.33 | Joback Calculated Property |
| Cp,gas | 420.47 | J/mol×K | 717.63 | Joback Calculated Property |
| Cp,gas | 434.59 | J/mol×K | 758.94 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Adamantanethiol.
Sources
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