- InChI
- InChI=1S/C10H18O/c1-7-5-9(6-11)10(3,4)8(7)2/h5,8-9,11H,6H2,1-4H3/t8-,9+/m1/s1
- InChI Key
- KMSIDXMGNKQFNQ-BDAKNGLRSA-N
- Formula
- C10H18O
- SMILES
- CC1=CC(CO)C(C)(C)C1C
- Molecular Weight1
- 154.25
- 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).
- 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° | -67.53 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -320.61 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 16.36 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.97 | kJ/mol | Joback Calculated Property |
| log10WS | -2.30 | Crippen Calculated Property | |
| logPoct/wat | 2.217 | Crippen Calculated Property | |
| McVol | 142.470 | ml/mol | McGowan Calculated Property |
| Pc | 2752.67 | kPa | Joback Calculated Property |
| Inp | 1135.00 | NIST | |
| Tboil | 530.70 | K | Joback Calculated Property |
| Tc | 719.81 | K | Joback Calculated Property |
| Tfus | 302.88 | K | Joback Calculated Property |
| Vc | 0.537 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [351.43; 429.75] | J/mol×K | [530.70; 719.81] | 
|
| Cp,gas | 351.43 | J/mol×K | 530.70 | Joback Calculated Property |
| Cp,gas | 366.15 | J/mol×K | 562.22 | Joback Calculated Property |
| Cp,gas | 380.10 | J/mol×K | 593.74 | Joback Calculated Property |
| Cp,gas | 393.37 | J/mol×K | 625.25 | Joback Calculated Property |
| Cp,gas | 406.02 | J/mol×K | 656.77 | Joback Calculated Property |
| Cp,gas | 418.12 | J/mol×K | 688.29 | Joback Calculated Property |
| Cp,gas | 429.75 | J/mol×K | 719.81 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to trans-«alpha»-Necrodol.
Sources
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