- InChI
- InChI=1S/C9H14O/c1-7-3-4-9(6-10)8(2)5-7/h5-6,8-9H,3-4H2,1-2H3/t8-,9+/m0/s1
- InChI Key
- MZZRKEIUNOYYDF-DTWKUNHWSA-N
- Formula
- C9H14O
- SMILES
- CC1=CC(C)C(C=O)CC1
- Molecular Weight1
- 138.21
- 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).
- 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° | -37.55 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -234.38 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 15.09 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 43.42 | kJ/mol | Joback Calculated Property |
| log10WS | -2.13 | Crippen Calculated Property | |
| logPoct/wat | 2.178 | Crippen Calculated Property | |
| McVol | 124.080 | ml/mol | McGowan Calculated Property |
| Pc | 3035.62 | kPa | Joback Calculated Property |
| Inp | [1101.00; 1102.00] |
|
|
| Inp | 1102.00 | NIST | |
| Inp | 1101.00 | NIST | |
| Inp | 1102.00 | NIST | |
| Tboil | 473.00 | K | Joback Calculated Property |
| Tc | 680.91 | K | Joback Calculated Property |
| Tfus | 249.61 | K | Joback Calculated Property |
| Vc | 0.474 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [268.51; 352.00] | J/mol×K | [473.00; 680.91] |
|
| Cp,gas | 268.51 | J/mol×K | 473.00 | Joback Calculated Property |
| Cp,gas | 284.31 | J/mol×K | 507.65 | Joback Calculated Property |
| Cp,gas | 299.34 | J/mol×K | 542.30 | Joback Calculated Property |
| Cp,gas | 313.61 | J/mol×K | 576.96 | Joback Calculated Property |
| Cp,gas | 327.13 | J/mol×K | 611.61 | Joback Calculated Property |
| Cp,gas | 339.93 | J/mol×K | 646.26 | Joback Calculated Property |
| Cp,gas | 352.00 | J/mol×K | 680.91 | Joback Calculated Property |
| η | [0.0003273; 0.0025258] | Pa×s | [249.61; 473.00] |
|
| η | 0.0025258 | Pa×s | 249.61 | Joback Calculated Property |
| η | 0.0014404 | Pa×s | 286.84 | Joback Calculated Property |
| η | 0.0009346 | Pa×s | 324.07 | Joback Calculated Property |
| η | 0.0006629 | Pa×s | 361.31 | Joback Calculated Property |
| η | 0.0005014 | Pa×s | 398.54 | Joback Calculated Property |
| η | 0.0003978 | Pa×s | 435.77 | Joback Calculated Property |
| η | 0.0003273 | Pa×s | 473.00 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to trans-Vetrocitral C.
Sources
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