- InChI
- InChI=1S/C12H20O2/c1-7-5-11(14-8(2)13)10-6-9(7)12(10,3)4/h7,9-11H,5-6H2,1-4H3
- InChI Key
- SJTUFGGNSOBUCB-UHFFFAOYSA-N
- Formula
- C12H20O2
- SMILES
- CC(=O)OC1CC(C)C2CC1C2(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° | -102.98 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -442.15 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 20.71 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.38 | kJ/mol | Joback Calculated Property |
| log10WS | -2.64 | Crippen Calculated Property | |
| logPoct/wat | 2.620 | Crippen Calculated Property | |
| McVol | 165.660 | ml/mol | McGowan Calculated Property |
| Pc | 2282.77 | kPa | Joback Calculated Property |
| Inp | [1308.00; 1314.00] |
|
|
| Inp | 1314.00 | NIST | |
| Inp | 1308.00 | NIST | |
| Inp | 1308.00 | NIST | |
| Tboil | 554.23 | K | Joback Calculated Property |
| Tc | 761.49 | K | Joback Calculated Property |
| Tfus | 340.70 | K | Joback Calculated Property |
| Vc | 0.632 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [439.79; 541.10] | J/mol×K | [554.23; 761.49] |
|
| Cp,gas | 439.79 | J/mol×K | 554.23 | Joback Calculated Property |
| Cp,gas | 459.08 | J/mol×K | 588.77 | Joback Calculated Property |
| Cp,gas | 477.26 | J/mol×K | 623.32 | Joback Calculated Property |
| Cp,gas | 494.44 | J/mol×K | 657.86 | Joback Calculated Property |
| Cp,gas | 510.73 | J/mol×K | 692.40 | Joback Calculated Property |
| Cp,gas | 526.25 | J/mol×K | 726.95 | Joback Calculated Property |
| Cp,gas | 541.10 | J/mol×K | 761.49 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to neo-Verbanol, acetate.
Sources
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