- InChI
- InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h8-11H,1,4-6H2,2-3H3/t8-,9+,10+/m0/s1
- InChI Key
- ZYTMANIQRDEHIO-IVZWLZJFSA-N
- Formula
- C10H18O
- SMILES
- C=C(C)C1CCC(C)CC1O
- Molecular Weight1
- 154.25
- CAS
- 96612-21-4
- 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° | -15.18 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -272.68 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.13 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.75 | kJ/mol | Joback Calculated Property |
| log10WS | -2.65 | Crippen Calculated Property | |
| logPoct/wat | 2.360 | Crippen Calculated Property | |
| McVol | 142.470 | ml/mol | McGowan Calculated Property |
| Pc | 2770.08 | kPa | Joback Calculated Property |
| Inp | [1130.00; 1156.00] |
|
|
| Inp | 1142.00 | NIST | |
| Inp | 1144.00 | NIST | |
| Inp | 1144.00 | NIST | |
| Inp | 1150.00 | NIST | |
| Inp | 1153.00 | NIST | |
| Inp | 1146.00 | NIST | |
| Inp | 1134.00 | NIST | |
| Inp | 1143.00 | NIST | |
| Inp | 1130.00 | NIST | |
| Inp | 1156.00 | NIST | |
| Inp | 1147.00 | NIST | |
| Inp | 1145.00 | NIST | |
| Inp | 1132.00 | NIST | |
| Inp | 1153.00 | NIST | |
| Inp | 1156.00 | NIST | |
| I | [1562.00; 1574.00] |
|
|
| I | 1568.00 | NIST | |
| I | 1562.00 | NIST | |
| I | 1574.00 | NIST | |
| I | 1562.00 | NIST | |
| Tboil | 527.15 | K | Joback Calculated Property |
| Tc | 719.80 | K | Joback Calculated Property |
| Tfus | 246.46 | K | Joback Calculated Property |
| Vc | 0.527 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [350.71; 439.67] | J/mol×K | [527.15; 719.80] |
|
| Cp,gas | 350.71 | J/mol×K | 527.15 | Joback Calculated Property |
| Cp,gas | 367.51 | J/mol×K | 559.26 | Joback Calculated Property |
| Cp,gas | 383.50 | J/mol×K | 591.37 | Joback Calculated Property |
| Cp,gas | 398.69 | J/mol×K | 623.47 | Joback Calculated Property |
| Cp,gas | 413.11 | J/mol×K | 655.58 | Joback Calculated Property |
| Cp,gas | 426.76 | J/mol×K | 687.69 | Joback Calculated Property |
| Cp,gas | 439.67 | J/mol×K | 719.80 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Neo-isopulegol.
Sources
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