- InChI
- InChI=1S/C12H18O/c1-9-5-3-4-6-11-10(9)7-8-12(11,2)13/h4,6,10-11,13H,1,3,5,7-8H2,2H3/t10?,11?,12-/m0/s1
- InChI Key
- FIZZAWTVIDYQPI-MCIGGMRASA-N
- Formula
- C12H18O
- SMILES
- C=C1CCC=CC2C1CCC2(C)O
- Molecular Weight1
- 178.27
- CAS
- 195259-46-2
- 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).
- 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).
- I : 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 |
|---|---|---|---|
| ω | 0.4459 | Relay (1.0) Calculated Property | |
| ΔfG° | 56.28 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -165.90 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 13.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.36 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.90 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.61 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.670 | Crippen Calculated Property | |
| McVol | 155.490 | ml/mol | McGowan Calculated Property |
| Pc | 2918.68 | kPa | Joback Calculated Property |
| I | [2152.00; 2152.00] |
|
|
| I | 2152.00 | NIST | |
| I | 2152.00 | NIST | |
| I | 2152.00 | NIST | |
| Tboil | 521.65 | K | Relay (1.0) Calculated Property |
| Tc | 745.30 | K | Relay (1.0) Calculated Property |
| Tfus | 325.29 | K | Relay (1.0) Calculated Property |
| Vc | 0.523 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [414.97; 504.60] | J/mol×K | [590.59; 802.08] |
|
| Cp,gas | 414.97 | J/mol×K | 590.59 | Joback Calculated Property |
| Cp,gas | 432.06 | J/mol×K | 625.84 | Joback Calculated Property |
| Cp,gas | 448.13 | J/mol×K | 661.09 | Joback Calculated Property |
| Cp,gas | 463.30 | J/mol×K | 696.34 | Joback Calculated Property |
| Cp,gas | 477.68 | J/mol×K | 731.59 | Joback Calculated Property |
| Cp,gas | 491.41 | J/mol×K | 766.83 | Joback Calculated Property |
| Cp,gas | 504.60 | J/mol×K | 802.08 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 8-epi-Dictamnol.
Sources
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