- InChI
- InChI=1S/C14H22O2/c1-8(2)13(15)16-12-10-7-6-9(3)11(12)14(10,4)5/h6,8,10-12H,7H2,1-5H3/t10-,11+,12?/m0/s1
- InChI Key
- OSMPHXXLRXFVBK-WIKAKEFZSA-N
- Formula
- C14H22O2
- SMILES
- CC1=CCC2C(OC(=O)C(C)C)C1C2(C)C
- Molecular Weight1
- 222.32
- 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).
- Inp : Non-polar retention indices.
- 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° | -60.54 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -422.06 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 22.13 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.71 | kJ/mol | Joback Calculated Property |
| log10WS | -3.33 | Crippen Calculated Property | |
| logPoct/wat | 3.176 | Crippen Calculated Property | |
| McVol | 189.540 | ml/mol | McGowan Calculated Property |
| Pc | 2023.58 | kPa | Joback Calculated Property |
| Inp | 1400.00 | NIST | |
| I | [1668.00; 1668.00] |
|
|
| I | 1668.00 | NIST | |
| I | 1668.00 | NIST | |
| Tboil | 608.36 | K | Joback Calculated Property |
| Tc | 816.32 | K | Joback Calculated Property |
| Tfus | 365.76 | K | Joback Calculated Property |
| Vc | 0.726 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [521.70; 621.85] | J/mol×K | [608.36; 816.32] |
|
| Cp,gas | 521.70 | J/mol×K | 608.36 | Joback Calculated Property |
| Cp,gas | 540.52 | J/mol×K | 643.02 | Joback Calculated Property |
| Cp,gas | 558.32 | J/mol×K | 677.68 | Joback Calculated Property |
| Cp,gas | 575.24 | J/mol×K | 712.34 | Joback Calculated Property |
| Cp,gas | 591.38 | J/mol×K | 747.00 | Joback Calculated Property |
| Cp,gas | 606.88 | J/mol×K | 781.66 | Joback Calculated Property |
| Cp,gas | 621.85 | J/mol×K | 816.32 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to cis-Chrysanthenyl isobutyrate.
Sources
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