- InChI
- InChI=1S/C9H14O2/c1-4-9(3)6-5-8(11-9)7(2)10/h4,8H,1,5-6H2,2-3H3/t8-,9+/m0/s1
- InChI Key
- FBFSXARBCWGXJL-DTWKUNHWSA-N
- Formula
- C9H14O2
- SMILES
- C=CC1(C)CCC(C(C)=O)O1
- Molecular Weight1
- 154.21
- CAS
- 56469-37-5
- 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).
- 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 |
|---|---|---|---|
| ω | 0.3467 | Relay (1.0) Calculated Property | |
| ΔfG° | -78.95 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -322.84 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.07 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.40 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.00 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.42 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.699 | Crippen Calculated Property | |
| McVol | 129.950 | ml/mol | McGowan Calculated Property |
| Pc | 3107.10 | kPa | Joback Calculated Property |
| Inp | [1026.00; 1077.00] |
|
|
| Inp | 1071.00 | NIST | |
| Inp | 1071.00 | NIST | |
| Inp | 1071.50 | NIST | |
| Inp | 1077.00 | NIST | |
| Inp | 1039.00 | NIST | |
| Inp | 1053.00 | NIST | |
| Inp | 1039.00 | NIST | |
| Inp | 1072.00 | NIST | |
| Inp | 1072.00 | NIST | |
| Inp | 1068.00 | NIST | |
| Inp | 1066.00 | NIST | |
| Inp | 1052.00 | NIST | |
| Inp | 1051.00 | NIST | |
| Inp | 1052.00 | NIST | |
| Inp | 1052.50 | NIST | |
| Inp | 1058.00 | NIST | |
| Inp | Outlier 1026.00 | NIST | |
| Inp | 1051.00 | NIST | |
| Inp | Outlier 1026.00 | NIST | |
| Inp | 1049.00 | NIST | |
| Inp | 1046.00 | NIST | |
| Inp | 1052.00 | NIST | |
| Tboil | 456.52 | K | Relay (1.0) Calculated Property |
| Tc | 665.10 | K | Relay (1.0) Calculated Property |
| Tfus | 245.49 | K | Relay (1.0) Calculated Property |
| Vc | 0.460 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [296.91; 376.99] | J/mol×K | [493.67; 708.12] |
|
| Cp,gas | 296.91 | J/mol×K | 493.67 | Joback Calculated Property |
| Cp,gas | 312.55 | J/mol×K | 529.41 | Joback Calculated Property |
| Cp,gas | 327.13 | J/mol×K | 565.15 | Joback Calculated Property |
| Cp,gas | 340.75 | J/mol×K | 600.89 | Joback Calculated Property |
| Cp,gas | 353.53 | J/mol×K | 636.63 | Joback Calculated Property |
| Cp,gas | 365.57 | J/mol×K | 672.38 | Joback Calculated Property |
| Cp,gas | 376.99 | J/mol×K | 708.12 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to cis-Arbusculone.
Sources
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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.