- InChI
- InChI=1S/C12H20O2/c1-8(2)11-6-5-9(3)7-12(11)14-10(4)13/h9,12H,5-7H2,1-4H3
- InChI Key
- ZAPTZQHAWAYFSW-UHFFFAOYSA-N
- Formula
- C12H20O2
- SMILES
- CC(=O)OC1CC(C)CCC1=C(C)C
- Molecular Weight1
- 196.29
- 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.
- 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° | -130.11 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -435.59 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.54 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.45 | kJ/mol | Joback Calculated Property |
| log10WS | -3.33 | Crippen Calculated Property | |
| logPoct/wat | 3.075 | Crippen Calculated Property | |
| McVol | 172.220 | ml/mol | McGowan Calculated Property |
| Pc | 2229.20 | kPa | Joback Calculated Property |
| Inp | [1263.00; 1263.00] |
|
|
| Inp | 1263.00 | NIST | |
| Inp | 1263.00 | NIST | |
| Tboil | 571.65 | K | Joback Calculated Property |
| Tc | 780.75 | K | Joback Calculated Property |
| Tfus | 296.70 | K | Joback Calculated Property |
| Vc | 0.647 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [436.34; 535.03] | J/mol×K | [571.65; 780.75] |
|
| Cp,gas | 436.34 | J/mol×K | 571.65 | Joback Calculated Property |
| Cp,gas | 455.18 | J/mol×K | 606.50 | Joback Calculated Property |
| Cp,gas | 473.04 | J/mol×K | 641.35 | Joback Calculated Property |
| Cp,gas | 489.95 | J/mol×K | 676.20 | Joback Calculated Property |
| Cp,gas | 505.91 | J/mol×K | 711.05 | Joback Calculated Property |
| Cp,gas | 520.93 | J/mol×K | 745.90 | Joback Calculated Property |
| Cp,gas | 535.03 | J/mol×K | 780.75 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Neopulegyl acetate.
Sources
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