![8-Azabicyclo[3.2.1]octane-3,6-diol, 8-methyl-, 3-acetate](/cid/85-727-1/8-Azabicyclo-3-2-1-octane-3-6-diol-8-methyl-3-acetate.png "8-Azabicyclo[3.2.1]octane-3,6-diol, 8-methyl-, 3-acetate")
- InChI
- InChI=1S/C10H17NO3/c1-6(12)14-8-3-7-4-10(13)9(5-8)11(7)2/h7-10,13H,3-5H2,1-2H3
- InChI Key
- IQJHMKLTWPJIHO-UHFFFAOYSA-N
- Formula
- C10H17NO3
- SMILES
- CC(=O)OC1CC2CC(O)C(C1)N2C
- Molecular Weight1
- 199.25
- CAS
- 54725-46-1
- Other Names
-
- 3-Acetoxy-6-hydroxytropane
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.5768 | Relay (... Calculated Property | |
| ΔfG° | -234.65 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -595.97 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 93.84 | kJ/mol | Relay (... Calculated Property |
| IE | 8.15 | eV | Relay (... Calculated Property |
| log10WS | -0.30 | Relay (... Calculated Property | |
| logPoct/wat | 0.146 | Crippen Calculated Property | |
| McVol | 153.330 | ml/mol | McGowan Calculated Property |
| Pc | 2692.14 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [1495.00; 1495.00] |
|
|
| Inp | 1495.00 | NIST | |
| Inp | 1495.00 | NIST | |
| Tboil | 547.73 | K | Relay (... Calculated Property |
| Tc | 778.38 | K | Relay (... Calculated Property |
| Tfus | 429.76 | K | Relay (... Calculated Property |
| Vc | 0.564 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
![[(3R)-7-Hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (E)-3-methylpent-2-enoate.](data:image/png;base64,iVBORw0KGgoAAAANSUhEUgAAAPoAAAD6CAIAAAAHjs1qAAAX2ElEQVR4nO3de1BU5/kH8Gcvyh1EZLkniKhVhKgI6DA1iRU0iiHxV40SIZpYdGBYtamSmiarTbXU2rLF2nhLB4zBlDgqtBqJjtIKGhCQm3JREAV2QRS5Cctt398fBxdUZK9nz5r3+UwmM3vYPe+T3W/Oec97Li+PEAII0YHPdQEIGQ/GHVEE444ognFHFMG4I4pg3BFFMO6IIhh3RBGMO6IIxh1RBOOOKIJxRxTBuCOKYNwRRTDuiCIYd0QRjDuiCMYdUQTjjiiCcUcUwbgjimDcEUUw7ogiGHdEEYw7ogjGHVEE444ognFHFMG4I4pg3BFFMO6IIhh3RBGMO6IIxh1RBOOOKIJxRxTBuCOKYNwRRTDuiCIYd0QRjDuiCMYdUQTjjiiCcUcUwbgjimDcEUUw7ogiGHdEEYw7ogjGHVEE444ognFHFMG4I4pg3BFFMO6IIhh3RBGMO6IIxh1RBOOOKIJxRxTBuCOKYNwRRTDuiCIYd0QRjDuiCMYdUQTjjiiCcUcUwbgjimDcEUUw7ogiGHdEEYw7ogjGHVEE444ognFHFMG4I4pg3BFFMO6IIhh3RBGMO6IIxh1RBOOOKIJxRxTBuCOKYNwRRTDuiCK6xL2zs5MQYvBSEGKb1nEnhERERISGhsrlcjYKQog9Wse9urr66tWrFy5cmD179vnz59moCSGWaB13b2/vsrKyRYsWNTY2Llq0aNOmTb29vWxUhpDB8XTrhRNCkpKStm7d2tfXN2fOnNTU1MmTJxu8OIQMS8e4M65du7Z69erq6mobG5v9+/dHRkYasDKEDE6vgciAgIDCwsKIiIiOjo6oqKiVK1e2trYaqDCEDE+vrbvK0aNHY2NjOzs7PT09U1NT582bp/86ETI4w5xmioqKys/PnzVrVm1t7fz583fs2KFUKg2yZoQMyGBnVadOnXr16tX4+HilUrlz504cmEcmyDCdmeF++OGHDz74oLGx0dHRMTk5ecmSJYZdP0I6M/w1M6GhoUVFRYsXL25ubg4LC8OBeWQ6DL91ZzAD89u2bevt7fX39z9+/DgOzP9k9Pb29vf3W1pacl2I1tiKOwMH5l9e3d3dcrm8pqZGJpPJ5fLh/7579+7mzZvDwsLeeOMNrsvUDrtxB4D29vaYmJhvvvkGAFasWHHo0KFx48ax2iLSkEKhkMlkMpmsvr5eLpfX1dXJ5fL6+npmoUKheNEHBQIBIcTd3b26ulooFBqzZj2xHncGDsxzSCaTXb9+XSaTNTQ0NDQ0yOXye/fuNTY2Njc3j/IpOzs7Nzc3d3d3FxcXDw8PFxcXd3d3V1dXNzc3kUjk6+tbXl5+/PjxVatWGe0/RH9GijsAVFZWrl69+vr160Kh8NNPP/3888/5fLy5hEVKpfLMmTNJSUkDAwOXLl0a8T329vZeXl4uLi6urq7D/+3t7W1nZzfKyg8ePLhx48Y5c+Zcu3aNnfLZQYxIoVCIxWIejycUCouKiozZNFU6Ozv37dvn7e3N/MTm5uYAIBAIlixZ8uWXX2ZkZBQUFMjlcqVSqXMT3d3dTk5OAHD58mUDVs42o8adsXfvXh6Pt3jxYuM3/ZMnl8slEomDgwMT9IkTJyYkJMjlcrFYzCwJDw9/8OCBQdr67LPPAGD58uUGWZtxcBD37777DgDeeecd4zc9grt3ybp1xNeX+PqStWtJbS3XBeno+vXr0dHRzIYcAPz9/VNSUvr6+lRvOHny5Pjx4wHA3d09KytL/xabmprMzc35fP7t27f1X5txcBB3qVQKALGxscZv+lnt7cTTk3z2GXn4kDx4QLZvJ6++StrbuS5LCwMDA+fPnw8LC2NSzufzw8LCcnJyRnzzvXv3fv7znzNvE4vFvb29era+bt06ABCLxVp9Sp9OlJ5Yj3tTU1NSUtKFCxdUS7Zu3QoAu3fvZrtp9b76isyd+9SSwEBy5AhH1Winu7s7JSVl2rRpTNBtbGzEYnGtur1Tf3+/RCIRCAQAEBgYWF1drU8NpaWlPB7Pysrq4cOHmry/qqpKLBa/++67+jSqD9bjztzP+uabb6qWREREAEBKSgrbTav38cfk179+asmWLeTjjzmqRlONjY3Pd9AfPXqk+RqysrLc3d0BwN7e/tSpc/oUExISAgB79uwZ5T1KpfLcuXOhoaE8Ho85aL53754+jeqM9bgnJycDwPvvv69a8vrrrwPA8O09Z2JjSXz8U0s++YSYQi/rBdR20DXX2tr63nvvmZubT5lSHBlJOjt1LOns2bMA4ObmNmLXqKenJyUlxdfXlynY2to6Ojr65s2bOjamN9bjvmvXLgDYtm2bagkzQFZeXs520+olJpJnjpjDw0liIjfFvJiqg85sHZkOenZ2tv5rTk6+YW5OAMj06aS4WJc1KJXK6dOnA0Bqaurw5ffv309ISHBzc2OC7uzsLJFIDDUopDPW4x4TEwMAf/vb31RLrKysAKDdFI4I79wh1tZENXJ8+TKxtiZ373Ja01MUCkVKSgqTJ8076Fq5eZP4+REAYm5OpFKiw2HkoUOHmF0N87K8vHH9+vXDd0HHjh3T/7DYIFiPe3h4OACcOHGCednS0sL8bGy3q6nTp4mbGwkOJsHBxM2NpKdzXdCgZzronp6eCQkJLS0tbLTV3U3EYgJAAMjbbxNtN8EKhYI55fT3vxeFhRFb23ZbWzs+n79w4cKMjAw2CtYZ63GfM2cOAFy9epV5WVpaCgA/+9nP2G5XvQcPyI0bpK2N9PWRkhJSUkJ06gSzobm5WbV1nDdvXlpaWn9/P9uNnjpFxo8nAMTJiZzT5vBVoSBvv30aoIT5H8bKikgkJ6qqqlirVHesx93FxQUAVEfimZmZAPCLX/yC7XbVO3KEAJAPPhha8sUXJD6e1NdzVtITAQEB9vb2ISEhBumga+7ePTJ/PgEgPB4Ri4naDsj9+yQhgbi5De4ZAORxcQ+57p+Pht249/f3CwQCPp+v6rr985//BICoqChW29XIzp0EgGzfPrRk4kQCQLjeLCmVSjMzMwDo6uoyfuv9/UQiIQIBASBhYeT3vycbNw79dft2cukSIYTcukXEYmJpORj0mTNJcHAKgHlcXJzxa9Ycu9ckyuXygYEBkUg0ZswYZklDQwMAqA7YudTQAACgqoQQYO4ld3XlrCQAAGhubu7p6XFwcLCwsDB+6wIB7NgBOTkwcSKsWQOlpZCcDP/61+Bfi4qgvh6WLoUpUyApCRQKWLYMLl2C69fhwIHZPF7PV1999fDhQ+OXrSF24/58uE037g8fgkIB48aBlRWHRYFpfEVBQXDjBrz3HgBAbCz85jfQ1jb4pzFjoLcXxo6FyEgoLYWMDGBuaZoxY0ZISEhXV9eRI0e4KlstduMuk8lgpLi7cr0FBXgu7s+85I6JfEWqXctrr0FYGHz66dCf/vEPaGiAo0fhyQDpoC1btgDAvn37TPZmfNy6m2jcTeIremLXLjhxAvLzB19OngxPBkifsnjxYj8/v4aGBuaiVxNEa9x7e+HBAxAKQSQaXIJxf7Hx42H3bti8GdTe+hYXFwcAf/3rX41RlvaMEXfVfrmvr6+5uVkgEDBnJbgkkwEh4OwMAsHgEoz7qNatAwDIzlbztsjISGdn58LCwv/9739GqEpbRt26MzeMOTk5cX/7+vPhxriPiseDAwfgxU8nGGRmZrZhwwYASExMNEZZWjJq3E3oh8S4ayYhAVRPPZwxA4qLITRUzUdiY2MtLCwyMjIqKyvZLk9bRh2ZMaEfEuOuGS8vqKwEZ2dgnog1bRrY26v5iKOj4/vvv69UKtevX3/p0qWOjg4j1KkhFjsV7e3tHR0dlpaWqucomc4PmdTaWunn939Tpy54suSRnZ21h4fQxYXHZV3Q3d396NGjsWPHTpgwgdNChtTXQ1MTdHVp8REej2dtbZ2dnb1gwQIA8PLyCg4O9vf39/f3DwgIYM4Zc4LFuJvusAzAj7duHS8pmffkUSoKhcIhO1soFCqcnLiNu+rgnrm03RRou9vbv3//4cOHhUJheHh4Y2NjUVFRTU1NTU3N119/DQCWlpazZs0KCgoKDAxcMHeu46uvslb4CFiM+7Rp0zo7O4efUjaduD9TiUwmI4S4uLhw/qQn0/mKVGQyAI3jnp6evmnTJh6Pd+jQIebG7f7+/srKyoKCgpycnOzs7IqKipycnJycHACoCQ52LCuDgAAIDgZ/f5g7FxwdR1ipUgkpKXDpErS0wPTpsHEjeHlBcjKYm4PqGWZnzkBNDcTFjV4euyMkVlZWVsPOyT9/kpUrz4yQmk7ITOcrUtF8656VlbVq1aqBgYE//elPTNYBQCgU+vj4+Pj4REVFAUBra2teXl5ubm5eXp5LQwO0tcGFC3DhAgAAjweTJ0Ng4OA/M2cC0+3ZvBmuXIHdu0EkgvR0mDsXfvwRiovB2nqo7Vu3oKBAbYVGHRA0tVSZYNxNpxIVDeNeVlb27rvvKhSKmJiYbdu2veht48aNCw0NDVWN79TWQl4e5OZCXh4UFkJVFVRVwbFjAABjx8I778Bf/gJHjkBVFbi7AwDMnAn19bB3L+h0AGDUuJvIpqulpaW7u9vW1tbGxoZZYjohM51KVDSJe11d3ZIlS1pbW1etWrVv3z4t1u7pCZ6esHIlAMDAAFRUQEHB4D95eWBmBqWlMGXKYNYZoaEglUJgIFRVQXr64MKyMk1aM1Lci4uLk5KSBAKBpaXllStXFi1aZJx2R2TKx9CmU4kK03cf5Yq1Bw8ehIaG1tXVvfnmm8nJybof/wgE4OMDPj4QFQUA0NkJHR2QlQVPtkqD7OyAmc+0uhrOnRtcWFEBEyeqbYHduCuVyrNnzyYmJl68eBEA+Hy+UqlcunTpJ598smPHDq7OrZp+3Dm/HFKlpQW6u8HO7ql+8nBdXV3h4eEVFRW+vr4nT5405CCjtTVYW4OnJ9y9C4SAaqiqpmYw2W+9BV98MbhQKtWk787WQERPT8/Ro0d9fX2XLVt28eJFGxub6OjosrKyhIQEPp+/a9eu4ODg6upqllofnenH3RQqYYzek+nr6/vlL3955coVLy+vH374gZWJKmbPhv5+SEsbfPn4MXz5JSxbpuPaDH5/FHMLveosiYuLi0QiGX4L/Y8//ujl5QUAtra233zzjcELUGvnzp0AsH3YbXuenp4AcOvWLeMXMxy3t+2N6PvvCQAJCRnhT0qlkhl+mTBhQkVFBYtFZGURJyeyfDmJiSHe3mTNGtLfTzZvJr/73dB7EhPJmjVq12TIuBcXF0dHR6tuOZs9e/aLnnHFHNMwb4uMjOzo6DBgGWox1zDt37+fealUKpnb/jt1fpSWgTQ1NQHA+PHjuS1juNTU0tdfL9q6dYRn78THxwOApaWl6jETLOroIGfOkLQ0cuPG4JLbt8mdO0NvqK8nGjyoywBxVyqVzz/j6vz582o/mJKSwozKT506tbCwUP9KNJSSkrJq1SqxWBwUFLRp0ybmbJ+9vb3RCniRwsJCAPD19eW6kCHP7wkZ+/fvB4AxY8Z8//33nBSmG73izjzjysfHh9lOM08A1Gq/dvPmzddeew0AzMzMEhISBgYG9KlHE+Xl5Rs2bBh+1zOPx1uzZs1///tftptW69///jcAmNRED9HR0cP3hIxvv/2Wz+fzeLzk5GSuCtONjnFvamp6voOu4VOPn9Hd3c3MYAMAzNTyupWk1uXLl1esWME865nH4y1cuDA9PT0xMZHpLvv4+JSUlLDUtIYOHDgAAB999BG3ZQy3dOlSADh9+rRqycWLF5lvbO/evRwWphut415ZWSkWi5/poOv/BMDTp08zD4hzcnIy7P6xp6cnLS0tMDCQKdjMzCwyMvKGqgtISEFBwZQpUwDAwsJCKpUasGltMdO/fP755xzW8IyZM2cCwLVr15iXJSUlzPCLScxGoT0t4n758mUdOuiaq6urY56FzePxxGJxT0+PnitsbW2VSqXuT07IOTk5SSSS5ubm59/Z1dWlmr1o+fLlLD2KUa0PP/wQAA4ePMhJ6yMSiUTw5BK6mpoaZ2dnAFi9erURup1sUB93/TvomlMqlVKplHkGU0BAgM4jg7dv3xaLxaqr0/z8/A4ePKh2dO+7775jNl2vvPKKkSeU6+vrO378uEgk4vP5W7duNWbTo+jt7eXz+QKBoL+/v7m5eerUqQCwYMEChULBdWk6UhN31dO7AcDDw2PPnj1azRKhm9zcXNXA/LFjx7T67PMd9IyMDM0nA7p9+3ZAQAAACIXCE4mJhP1tWGtr6549e1555RXmS2b+V1+7dq2RB2dHVFtbCwDu7u6PHz9mZn729/c3iSeV60r91l0ikcyaNcsgHXTNtbW1rV69WvOBeaaDHhQUNLyDXlZWpkPTfX19EonExcamx9OTvPEGe09IrampiY+PV52J9Pb2lkqlhw8fZnZKEydONMZ49qiYq9IDAwMXL14MAJMmTWpsbOS2JD2pjzuHD6LXZGCe6aB7eHgwoRGJRC/qoGul5eJF4uxMAMiECcTQDynPz8+PjIxUXTIUHBw8fBdUXl7OHCCOGTNGIpFw2EtOS0tjunYA4OjoWFlZyVUlhsLBRJNaGeW3f6aDPmXKFKlUasjT7/fvk7CwwUfcRkaSx4/1XWFf38WTJ4fvgtauXVs80hwxwwdnFy5cyBwpGp/q4Rk2NjYFBQWc1GBYph538vRvHxISIpfLh3fQn986GpJSSaRSYmY2OH2RzgPz7e1EKiWvvnoqKAgA7OzsxGJxXV3d6B/KzMxknj8lEonOnj2rY9O6ys/PZ8ZnBQKBYYfgOPQSxJ2Rnp7ODMzb2toyKbewsPjVr35ljGncSkvJjBkEgFhYEG0H5mtqyObNxMaG2UsMTJ+efPiw5rugxsZG5t4AQw3OqjUwMHDq1Kn58+czX/KyZcu+/vprths1mpcm7uTJbx8dHS0SieLj4xsaGozXdlfX0PRFy5cTTc4f5+eTyEgiFA5+KjiYpKUR7eecGT44O2fOHPYu29RtXuKXy8sUd0LIwMBAb28vZ+O+qanE1pYAkD/+kRBCZDLy5z+Tjz4iv/0tycpSlUgyMkhw8GDKx44lK1aQ3Fw9W87NzZ00aRKTQoNvbuVyuZ7zEr8sXrK4c6+6mmzcSPr6yJ07xMWFbNlCzpwhhw4RV1eSlES6u8mkSYNBd3Ag27cTwx1ltrW1MROOazg4qwkDzkv8UsC46+rDD0lMzNDL3FxiZUXa28nKlWTSJCKV6j4R9ahUg7Oenp5XrlzRbSWqeYmZlDOXhOTk5Bi2VBOEcdeVnx/JzHxqiasrycsjjx6xfS5WNTgrFAq1HZhnLgn5aXfQR4Fx15WLy7M9cj8/8p//GKdxhUKh7cD8iPMS/yQ76KPAuOsqKIicPDn0Uqkk48eT0lJjlpCZmclcoigSic6cOfOitxUVFVHVQR8Fxl1X27eTt94a6rd8+y3x8DD+vNujDMyPeFOlkeclNjUYd121t5OgIDJ/PvnDH8iGDcTBgVy4wEkhwwfm/f39q6qqmA666lJWpoN+Z/iNzLTiEbWzS6EXGRiAzEwoLwcHB1iyZGhWMy5cvXo1IiKitrbWwsJi7NixbW1tAODp6RkXF7d+/XrVqWjKYdx/Otrb22NiYsrKym7evOnn5ycWiyMiIrifBsuUYNx/ajo6OhobGydPnsx1IaYI444owvFkFQgZE8YdUQTjjiiCcUcUwbgjimDcEUUw7ogiGHdEEYw7ogjGHVEE444ognFHFMG4I4pg3BFFMO6IIhh3RBGMO6IIxh1RBOOOKIJxRxTBuCOKYNwRRTDuiCIYd0QRjDuiCMYdUQTjjiiCcUcUwbgjimDcEUUw7ogiGHdEEYw7ogjGHVEE444ognFHFMG4I4pg3BFFMO6IIhh3RBGMO6IIxh1RBOOOKIJxRxTBuCOKYNwRRTDuiCIYd0QRjDuiCMYdUQTjjiiCcUcUwbgjimDcEUUw7ogiGHdEEYw7ogjGHVEE444ognFHFMG4I4pg3BFFMO6IIhh3RBGMO6IIxh1RBOOOKIJxRxTBuCOKYNwRRTDuiCIYd0QRjDuiCMYdUQTjjiiCcUcUwbgjimDcEUUw7ogiGHdEEYw7ogjGHVEE444ognFHFMG4I4pg3BFFMO6IIv8Pd5GvIoWG4NAAAAAASUVORK5CYII=)
Find more compounds similar to 8-Azabicyclo[3.2.1]octane-3,6-diol, 8-methyl-, 3-acetate.
Sources
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- Crippen Method
- Crippen Method
- McGowan Method
- NIST Webbook
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