- InChI
- InChI=1S/C14H22O/c1-9(2)12-6-4-10(3)13-7-5-11(15)8-14(12)13/h8-10,12-13H,4-7H2,1-3H3/t10-,12+,13?/m1/s1
- InChI Key
- AQNMVDGKNNYAEW-FVBASEICSA-N
- Formula
- C14H22O
- SMILES
- CC(C)C1CCC(C)C2CCC(=O)C=C12
- Molecular Weight1
- 206.32
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 27.69 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -328.34 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.78 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.78 | kJ/mol | Joback Calculated Property |
| log10WS | -3.64 | Crippen Calculated Property | |
| logPoct/wat | 3.594 | Crippen Calculated Property | |
| McVol | 183.670 | ml/mol | McGowan Calculated Property |
| Pc | 2121.68 | kPa | Joback Calculated Property |
| I | [2320.00; 2320.00] |
|
|
| I | 2320.00 | NIST | |
| I | 2320.00 | NIST | |
| Tboil | 617.13 | K | Joback Calculated Property |
| Tc | 846.53 | K | Joback Calculated Property |
| Tfus | 331.60 | K | Joback Calculated Property |
| Vc | 0.688 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [511.90; 628.19] | J/mol×K | [617.13; 846.53] |
|
| Cp,gas | 511.90 | J/mol×K | 617.13 | Joback Calculated Property |
| Cp,gas | 534.67 | J/mol×K | 655.36 | Joback Calculated Property |
| Cp,gas | 556.06 | J/mol×K | 693.60 | Joback Calculated Property |
| Cp,gas | 576.08 | J/mol×K | 731.83 | Joback Calculated Property |
| Cp,gas | 594.76 | J/mol×K | 770.06 | Joback Calculated Property |
| Cp,gas | 612.12 | J/mol×K | 808.30 | Joback Calculated Property |
| Cp,gas | 628.19 | J/mol×K | 846.53 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 14-Norcadin-5-en-4-one.
Sources
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