- InChI
- InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)6-10(9)11/h8-9H,1,4-6H2,2-3H3/t8-,9-/m1/s1
- InChI Key
- RMIANEGNSBUGDJ-RKDXNWHRSA-N
- Formula
- C10H16O
- SMILES
- C=C(C)C1CCC(C)CC1=O
- Molecular Weight1
- 152.23
- 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° | 6.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -237.81 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 11.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 41.63 | kJ/mol | Joback Calculated Property |
| log10WS | -2.55 | Crippen Calculated Property | |
| logPoct/wat | 2.568 | Crippen Calculated Property | |
| McVol | 138.170 | ml/mol | McGowan Calculated Property |
| Pc | 2701.41 | kPa | Joback Calculated Property |
| Inp | [1159.00; 1173.00] |
|
|
| Inp | 1159.00 | NIST | |
| Inp | 1173.00 | NIST | |
| Inp | 1159.00 | NIST | |
| I | [1583.00; 1587.00] |
|
|
| I | 1587.00 | NIST | |
| I | 1587.00 | NIST | |
| I | 1583.00 | NIST | |
| I | 1583.00 | NIST | |
| I | 1587.00 | NIST | |
| Tboil | 507.46 | K | Joback Calculated Property |
| Tc | 729.79 | K | Joback Calculated Property |
| Tfus | 258.10 | K | Joback Calculated Property |
| Vc | 0.516 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [320.01; 420.31] | J/mol×K | [507.46; 729.79] |
|
| Cp,gas | 320.01 | J/mol×K | 507.46 | Joback Calculated Property |
| Cp,gas | 339.03 | J/mol×K | 544.51 | Joback Calculated Property |
| Cp,gas | 357.13 | J/mol×K | 581.57 | Joback Calculated Property |
| Cp,gas | 374.31 | J/mol×K | 618.62 | Joback Calculated Property |
| Cp,gas | 390.57 | J/mol×K | 655.68 | Joback Calculated Property |
| Cp,gas | 405.90 | J/mol×K | 692.73 | Joback Calculated Property |
| Cp,gas | 420.31 | J/mol×K | 729.79 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to cis-Isopulegone.
Sources
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