- InChI
- InChI=1S/C15H20O/c1-10(2)13-7-5-12(9-16)14-6-4-11(3)8-15(13)14/h4,6,8-10,12-13H,5,7H2,1-3H3/t12-,13-/m1/s1
- InChI Key
- RXELGPYYZBYBFV-CHWSQXEVSA-N
- Formula
- C15H20O
- SMILES
- Cc1ccc2c(c1)C(C(C)C)CCC2C=O
- Molecular Weight1
- 216.32
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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° | 107.55 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -183.90 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 23.74 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.69 | kJ/mol | Joback Calculated Property |
| log10WS | -4.09 | Crippen Calculated Property | |
| logPoct/wat | 3.811 | Crippen Calculated Property | |
| McVol | 189.160 | ml/mol | McGowan Calculated Property |
| Pc | 2157.31 | kPa | Joback Calculated Property |
| I | [2495.00; 2495.00] |
|
|
| I | 2495.00 | NIST | |
| I | 2495.00 | NIST | |
| Tboil | 633.80 | K | Joback Calculated Property |
| Tc | 854.49 | K | Joback Calculated Property |
| Tfus | 347.45 | K | Joback Calculated Property |
| Vc | 0.727 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [508.06; 603.75] | J/mol×K | [633.80; 854.49] |
|
| Cp,gas | 508.06 | J/mol×K | 633.80 | Joback Calculated Property |
| Cp,gas | 526.79 | J/mol×K | 670.58 | Joback Calculated Property |
| Cp,gas | 544.34 | J/mol×K | 707.36 | Joback Calculated Property |
| Cp,gas | 560.76 | J/mol×K | 744.14 | Joback Calculated Property |
| Cp,gas | 576.09 | J/mol×K | 780.93 | Joback Calculated Property |
| Cp,gas | 590.40 | J/mol×K | 817.71 | Joback Calculated Property |
| Cp,gas | 603.75 | J/mol×K | 854.49 | Joback Calculated Property |
| η | [0.0003830; 0.0021706] | Pa×s | [347.45; 633.80] |
|
| η | 0.0021706 | Pa×s | 347.45 | Joback Calculated Property |
| η | 0.0013652 | Pa×s | 395.17 | Joback Calculated Property |
| η | 0.0009489 | Pa×s | 442.90 | Joback Calculated Property |
| η | 0.0007079 | Pa×s | 490.62 | Joback Calculated Property |
| η | 0.0005563 | Pa×s | 538.35 | Joback Calculated Property |
| η | 0.0004546 | Pa×s | 586.07 | Joback Calculated Property |
| η | 0.0003830 | Pa×s | 633.80 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 14-Oxocalamenene.
Sources
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