![Tricyclo[3.3.1.1(3,7)]decane-2-ol-1-carboxylic acid, methyl ester](/cid/33-796-2/Tricyclo-3-3-1-1-3-7-decane-2-ol-1-carboxylic-acid-methyl-ester.png "Tricyclo[3.3.1.1(3,7)]decane-2-ol-1-carboxylic acid, methyl ester")
- InChI
- InChI=1S/C12H18O3/c1-15-11(14)12-5-7-2-8(6-12)4-9(3-7)10(12)13/h7-10,13H,2-6H2,1H3
- InChI Key
- SEVMKXVZUKPSMQ-UHFFFAOYSA-N
- Formula
- C12H18O3
- SMILES
- COC(=O)C12CC3CC(CC(C3)C1O)C2
- Molecular Weight1
- 210.27
- CAS
- 41171-74-8
- 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).
- 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° | -171.34 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -501.24 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.86 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.28 | kJ/mol | Joback Calculated Property |
| log10WS | -1.80 | Crippen Calculated Property | |
| logPoct/wat | 1.347 | Crippen Calculated Property | |
| McVol | 160.670 | ml/mol | McGowan Calculated Property |
| Pc | 2960.12 | kPa | Joback Calculated Property |
| Tboil | 657.82 | K | Joback Calculated Property |
| Tc | 864.56 | K | Joback Calculated Property |
| Tfus | 423.70 | K | Joback Calculated Property |
| Vc | 0.610 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [489.22; 574.38] | J/mol×K | [657.82; 864.56] | 
|
| Cp,gas | 489.22 | J/mol×K | 657.82 | Joback Calculated Property |
| Cp,gas | 504.99 | J/mol×K | 692.28 | Joback Calculated Property |
| Cp,gas | 519.94 | J/mol×K | 726.73 | Joback Calculated Property |
| Cp,gas | 534.20 | J/mol×K | 761.19 | Joback Calculated Property |
| Cp,gas | 547.94 | J/mol×K | 795.65 | Joback Calculated Property |
| Cp,gas | 561.28 | J/mol×K | 830.10 | Joback Calculated Property |
| Cp,gas | 574.38 | J/mol×K | 864.56 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Tricyclo[3.3.1.1(3,7)]decane-2-ol-1-carboxylic acid, methyl ester.
Sources
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