![3-Hydroxy-1a,3,6,6-tetramethylhexahydro-2-oxacyclopropa[d]naphthalen-5-one](/cid/82-622-0/3-Hydroxy-1a-3-6-6-tetramethylhexahydro-2-oxacyclopropa-d-naphthalen-5-one.png "3-Hydroxy-1a,3,6,6-tetramethylhexahydro-2-oxacyclopropa[d]naphthalen-5-one")
- InChI
- InChI=1S/C14H22O3/c1-11(2)5-6-14-8-12(14,3)17-13(4,16)7-9(14)10(11)15/h9,16H,5-8H2,1-4H3
- InChI Key
- WIXKMBYZWQMYGA-UHFFFAOYSA-N
- Formula
- C14H22O3
- SMILES
-
CC1(O)CC2C(=O)C(C)(C)CCC23CC3(
C)O1 - Molecular Weight1
- 238.32
- CAS
- 71596-91-3
- 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° | -157.86 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -527.86 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 10.75 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.05 | kJ/mol | Joback Calculated Property |
| log10WS | -2.99 | Crippen Calculated Property | |
| logPoct/wat | 2.269 | Crippen Calculated Property | |
| McVol | 188.850 | ml/mol | McGowan Calculated Property |
| Pc | 2799.47 | kPa | Joback Calculated Property |
| Inp | [1716.00; 1716.00] |
|
|
| Inp | 1716.00 | NIST | |
| Inp | 1716.00 | NIST | |
| Inp | 1716.00 | NIST | |
| Tboil | 727.05 | K | Joback Calculated Property |
| Tc | 960.59 | K | Joback Calculated Property |
| Tfus | 537.05 | K | Joback Calculated Property |
| Vc | 0.712 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [602.88; 734.47] | J/mol×K | [727.05; 960.59] |
|
| Cp,gas | 602.88 | J/mol×K | 727.05 | Joback Calculated Property |
| Cp,gas | 621.94 | J/mol×K | 765.97 | Joback Calculated Property |
| Cp,gas | 641.47 | J/mol×K | 804.90 | Joback Calculated Property |
| Cp,gas | 662.00 | J/mol×K | 843.82 | Joback Calculated Property |
| Cp,gas | 684.00 | J/mol×K | 882.74 | Joback Calculated Property |
| Cp,gas | 707.99 | J/mol×K | 921.67 | Joback Calculated Property |
| Cp,gas | 734.47 | J/mol×K | 960.59 | Joback Calculated Property |
Similar Compounds
Sources
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