- InChI
- InChI=1S/C14H22O2Si/c1-14(2,3)17(4,5)16-13(15)11-12-9-7-6-8-10-12/h6-10H,11H2,1-5H3
- InChI Key
- LISQZGMJTHVNMI-UHFFFAOYSA-N
- Formula
- C14H22O2Si
- SMILES
-
CC(C)(C)[Si](C)(C)OC(=O)Cc1ccc
cc1 - Molecular Weight1
- 250.41
- CAS
- 78323-99-6
- Other Names
-
- Phenylacetic acid, TBDMS
- Phenylacetic acid, tert-butyldimethylsilyl ester
- Phenylacetic acid, DMTBS
- tert-Butyl(dimethyl)silyl phenylacetate
- Benzeneacetic acid, tbdms derivative
- 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.
- Pc : Critical Pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -491.54 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 67.88 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.69 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.31 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.777 | Crippen Calculated Property | |
| Pc | 1963.30 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 543.73 | K | Relay (1.0) Calculated Property |
| Tfus | 307.80 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Similar Compounds
![Benzeneacetic acid, 4-[(tert-butyldimethylsilyl)oxy]-3-methoxy-, tert-butyldimethylsilyl ester.](data:image/png;base64,iVBORw0KGgoAAAANSUhEUgAAAPoAAAD6CAIAAAAHjs1qAAAbsklEQVR4nO3de0CUVd4H8O8wXIRA0wQvCUKampqiIhitogupKW5ewE1bNCvRVxMvm4ubGdZ6YVsLKFFRt8T7nZVEN00sXc0L3kBBCBFF8AJeBpXBYZjz/nF0IlQceJ5nBji/z19ehnMOzJdnzvOc8/weFWMMhIjBytIDIMR8KO5EIBR3IhCKOxEIxZ0IhOJOBEJxJwKhuBOBUNyJQCjuRCAUdyIQijsRCMWdCITiTgRCcScCobgTgVDciUAo7kQgFHciEIo7EQjFnQiE4k4EQnEnAqG4E4FQ3IlAKO5EIBR3IhCKOxEIxZ0IhOJOBEJxJwKhuBOBUNyJQCjuRCAUdyIQijsRCMWdCITiTgRCcScCobgTgVDciUAo7kQgFHciEIo7EQjFnQiE4k4EQnEnAqG4E4FQ3IlAKO5EIBR3IhCKOxEIxZ0IhOJOBEJxJwKhuBOBUNyJQCjuRCAUdyIQijsRCMWdCITiTgRCcScCobgTgVDciUAo7kQgFHciEIo7EQjFnQiE4k4EQnEnAqG4E4FQ3IlAKO5EIBR3IhCKOxEIxZ0IhOIum7KysvLyckuPglSF4i6bVatWubm5zZ0799atW5YeC3kyirtskpKSCgoKPvvss9atW0+ePDkzM9PSIyKVqRhjlh5DPWEwGJKTk2NiYpKSkhhjKpXK398/LCwsMDBQpVJZenQEoLgrIT09PSYmZu3atSUlJQA6dOjwzaxZAUFBeO45Sw9NdBR3pWg0mlWrVkVFRV26dOlIp04+eXl4911Mnw53d0sPTVwUd2Xp9fp9338/YNEiHD4MAGo1hg1DWBh697b00EREcTeXkycRF4fVq1FaCgDdumHiRISEwN4eAC5fRmoqWrZEt26gib5iKO7mdfUqli5FXBxu3ACA5s1x9CgSEvCf/2DIEKSno6AAO3bAxsbSA62fKO6WoNNhxw58+SXu38eePejXD2lpDyM+aRK8vPDee5YeYv1E190twdYWwcE4cgT79iEtDd7evx3O/f2RkmLRwdVnFHeLcnGBSoWKH7CM0dxdOZaMe2pq6rRp07Kzsy04Bsvr0gXHj6Os7OFf9++Ht7dFB1SfWVuw76ioqFWrVqlUqqioKAsOw8KaNcOECXjzTQwbhrNnkZuLmBhLj6nestipamFhoZubm06ny8rKatOmjUXGUItcuIDUVLRoAR8fmswox2KTmWXLlpWWlg4ZMoSyDgBt2mDTJgwbhrQ0Sw+lPrNM3MvKyuLi4gBMnTrVIgOojTQaXLuGvDxLj6M+s0zcN23alJ+f37lz5759+1pkALWRmxuA+hf3wMDAv/3tb7dv37b0QABLxf2bb74BMG3aNNoZ+xtXV6C+xf3EiRNJSUkrV660tbW19FgAi8T98OHDx44da9q06ejRo83fe+3F4375sqXHIaevvvoKwPjx45+rHZufLRD3mJgYABMmTLDnu6MIV++O7levXt26datarZ44caKlx/KQueOen5+fkJBgY2Mj/Ueg0+liY2OLi4tlGZjl1bu5+5IlS3Q63fDhwz08PCw9lkeYeYWHhwMYNWqU9KZWr14N4PXXX5feVK2g1TKVitnasvJySw9FBqWlpc2aNQPwv//9z9Jj+Y1Jcb99+3ZeXp70zkpKSl544QUAR44ckd5az549AXz77bfSm6otXFwYwK5etfQ4ZPDvf/8bQPfu3S09kN8xKe7z58+3srIKDAzcu3evlM6WLVsGoFevXlIa4Q4ePAjA2dlZq9VKb62WODt69I99++akpFh6IDLo2rUrgNWrV1t6IL9jUtynT59u82iHas+ePdeuXfvgwYMadPbqq68C2LBhQw2+tpKgoCAAc+bMkd5U7TF06FAAW7dutfRApEpOTgbg4uJSWlpq6bH8jqlz96tXr0ZERDRt2pSHvlmzZuHh4fn5+ab3tGfPHgAtW7bU6XQ1GupvLl26ZG1tbWNjc+XKFYlN1SpTpkwBEBUVZdZeS0rYjBmsb1/m58c++ojJ8Wn51ltvAfjss8+kN7V48eLY2Ni7d+9Kb4qZHneutLQ0Pj6+S5cuPPS2trbBwcEmTsQHDx4MYP78+TUa5+/MnDkTwDvvvCO9qVrliy++ADBjxgyz9vrRR8z4ITlrFgsPl9jexYsX1Wq1nZ3dVcknIaWlpS4uLgAOHToksSmuhldmDh48GBwcrFaree5ff/31zZs3l5WVPe31WVlZVlZWdnZ2169fr+lQH7p//z4/3z169KjEpmqbDRs2AAgODjZrr+7u7P79h38uLmYeHhLbmz59OoB3331X6sAYW7FiBYAePXpIb4qTdCHywoUL4eHhjRs35qH38PCIjIy8efPm46/88MMPAXzwwQdSuuOWLl0KwNfXV3pTtc2hQ4fkOpWvBheX3/3V2VlKY8XFxY0aNQJw/PhxSaNijDHG5xFr166V3hQnw3X34uLiuLi4V155hYfe0dExNDT03LlzFV/QsGFDAGfOnJHYl8Fg4B1t2rRJYlO10OXLlwG8+OKLZu21Qwdm/MjNz2edOrFbt5i/P9u8mT394/ppvv76awB9+vSRPq59+/YBaNGiRc2uizyRbMtM5eXle/fuNdZDVKlUAQEBiYmJBoOBb5zw9/eX3st///tfHgjp57u1kF6vt7a2trKyMsd3p9Ox2FhWXs6+/pqNGsVu3WI3b7LgYLZ0KVu0iAEMYG5u7J//ZE/6uH4ig8HQvn17ANu2bZM+wD/96U8APv/8c+lNGcm/qpqamvrBBx8Y98N07NjR2dkZQGJiovTG33zzTQALFy6U3lTt1KpVKwC5ubnKdpOTw7y9GcB4mOLj2bBhbPhwxqcNWi2Lj2edOj0MvZ0dCwlhaWnPbPX7778H0Lp1a71eL3mAOfx899q1axKbqkipTQR37tyJjo52c3MDYG9vb2VlNWXKFInvIj/ftbe3LyoqkmuctUpeXp6zs7OTk1OfPn0kruhVJSGBNW788OBdxQq/wcB272YDBzKVigFZ7u4DBgxISkoqf/oeh4CAAACLFi2SPkZ+38+4ceOkN1WRsntmdDpdp06djPtzrK2tR44cWeOLSpMnTwYQGhoq7yBriZ07d/JljQYNGkhf0XsyrZaFhT08Zg8dauosJSOD/d//TQsI4KNq167dN99888QL4evXr/fz87t165bEYRrPd0+dOiWxqUqUjXtaWppKpXJycvrpp59CQ0ONb2T37t3j4uKqtf5/+/ZtR0dHWc53a5uysrKIiAgrKysAAQEBZ86ceXxFT4YFtfPnmafnw8lJdDQzGKr11RqNJjo62v1R+WInJ6fQ0NCMjAy9Xh8VFTVq1Kjp06dfv3598uTJVVyPNhHfIt63b1+J7TxO2bi/9957AKZOncr/ypdm+VS+um/kokWLALzxxhsKDtcSLl265Ovryz/6IiIi+FTBYDBIWdF73IO1a5mjIwNYu3bs5Mkaj1av12/durX3o/LF/fr1i4uLGzNmTH5+/v79+4uLi2/cuFHjxjnj+W5CQoLEph6nYNxv3LjRoEEDlUqVmZlZ8d9r8Ebq9fqXXnoJwM6dO5UbsPlt376dr1q4ubkZ53i5ubmurq4RERF8BaPSil6PHj3i4+NNP4KWlJSEhYVN8/RkajULCmJ37sgy8hMnTowdOzYxMTEyMnLSpEmGR58Vfn5+EmdfiYmJcp3vPk7BuP/jH/8AMGTIkKe9gL+R1tbWz3wjs7Oz3dzc2rZtW8V5Ut2i1WrDwsL4Nz506NCK89158+YZVzAmTZp0/vx5Vp0VvYrOnDnToUMHAM8999x5OXbmPa6oqGj48OHt27dftGiRwWDo3LmzxG1h/v7+AL788ku5RliRUnHX6XT8mtqPP/5Y9SurfiMzMjKSk5Nv3Lhx584dWa7m1gbnz5/39PQEYGdnFx0dbfj9NLqKFYxnruhVFB8f7+DgAOCVV15JTU1V9DsqLCwMCAhYs2ZN586dNRrNxIkTjx07VoN2zp49q1KpHB0db9++LfcYGVMu7mvXrgXQqVMng2mnRMXFxTExMW3btjW+kRs2bJg7d+7AgQPnzJkTGhp68+ZNWXYOW1x8fDw/527Xrl3VVx4yMzPDwsKMNzW//PLL0dHR9+7dq+L3gX+hRqN5++23+VeFhITcN26JUcC9e/f4H2bOnLl48eLOnTvzGzuMH9fVWjIbP348gA8//FCZwSoWd29vbwArVqyo1ldVfCNTU1M7duxo3GNcVFS0Zs0aBUZqPiUlJaGhocYUmripla9gtG7dmn9hw4YNw8LCLl68yB79PvBDuPH34cCBA7wwm5OT0/r165X9lhiLjY3t3bt3nz59AgMDNRrN0KFDc3JyZs6cafy4dnV1NWXexRi7efOmg4ODSqXKyMhQaLSKxP3w4cMAmjRpUuPjCn87w8PDvb29161bp9VqMzMzAwMD5RyleZ07d65z584A7O3to6Ojq/vl5eXliYmJAY8ufle8uayoqGjBggV86giAp9/Lyys7O1uB76Oy7777Lj09/fF/12q18fHx/Fvm07aQkJCq51QLFiwAMGjQIMUGq0zc//znPwP4+OOPpTd15MiR0NBQb2/v9PT0wMDAwsLCS5cuSW/WzGScRp84caLiCka3bt3i4uJKSkp0Ot3GjRs9PDycnJxee+01ORennq6goMDW1tba2rqKpf4n7hV//KpLWVmZq6srgB9++EG5Acsf9ytXrtjY2FhbW8tyNzfXtWvX5OTkwMDAv//977LcNWs2Ck2jCwoKPvnkE37rA4DmzZvz83heefP999+XpZdnmjNnDoCgoKBnvvLXX38NDw9//vnn+YDbtGkTGRlZ8XyU7/Xv2LGjiSd7NSN/3GfNmgXg7bfflt7UxIkTV65cOW/evK5du/Kj+5QpU4x3zfbo0WP16tXmOYzVzPHjx/k0umHDhkpMox88eLB582YfHx88Ku6wa9cuAP3795e9r8cZS2scPHjQxC952tIsY6xXr14Ali1bpuSQ5Y67sbTGL7/8Ir21kydPrl+/fuvWrffu3dNqtXyOmJ+fP3v2bOPSbPPmzb9dtIjJum9OOoPBMGzYML6k4OXldeHCBUW7M97YlZaWxqdMinbHffvtt3w2Vd0v1Ov127Zt69Onj/E8hFfGbdy4sfE6j0Jkjvvy5cv5Gyy9qUOHDjVo0OCvf/3rE/+XL83y6g5rXn+d2dqy4GAmx++YLLZu3crfywkTJpjz84fXVHN0dDRDX3zpID4+vsYtnDp1KjQ0lO8Vt7e3b9KkSXR0tKKXTWWOO98aIMsHd3BwMIDZs2dX/bL9yckPgoKYldXDjX59+rBt21jFM6E7d+RaOTddQkICgEaNGpm5X8YYv3FM+rbEqv30008AXFxcpNf5OX36tFqtNtaCdnZ2/uSTT6pV5MJ0csZ97969AFq2bCn9eMbPd21sbEw9371wgU2fzho1ehh6d3e2Ywe7epW98QZ76y321lvM358VFEgclelu3brFp+yMseXLl3t7e3/33Xfm6ZrvuFZ63+iwYcMAzJ07V3pTs2fPBjBixIjNmze/9tprPPQ2NjbBwcGyF9yTM+6BgYEA5s2bJ70pXkpy9OjR1fuyu3dZXBzr2JEBbP9+FhLCjHf1rlnDzFuogy+dajSahQsXApg5c6Z5+uU3fCm6ly43N1etVtva2spSWqNSKcmUlJSQkJCKFySquzRbBdni/uuvv/LSGtLvtjKW1qjhftfycsY36rRq9dvNxTodM+8tz3xv1tmzZ9etWyfXpSpT8IXbpUuXKtfFjBkzAIwZM0Z6U08rJVlQUBAREcFjwC9IREREFBYWSuxOtrjz/X2yXPGVrZRkpZISlf6qsP79+wPYvXv3gQMHYMZKxXwjqixrfE90//79Jk2aAKjZJrBKHl5seMr2EH5BolpLs1WTJ+7G0hqnT5+W3ppspSR9fJhxfTsjg/n4SG2wOt5//30Ay5cvv3jxIgBXV1fz9Ltq1SoAf/nLXxRqf/HixQB69+4tvSnTS0mauDT7TPLE/ZdffnFxcenXr5/0pmQsJcl27WK+vmzPHrZnD/P1Zbt2SR+e6ebOnQtgzpw5Op1OrVar1Wrpd7WZgpdn8fPzU6Jxg8HAJ2my1G2tbinJ7Ozsx5dmq3UNSrbJTGlpqSy7WXgpyQULFkhvijHGTp9m8+ez+fOZHB871cJnpWPHjmWMtWzZEoCMuyqqkJWVBeCll15SovGkpCQAbm5u0n91jaUkq3uyp9Fo4uLi+A1+lZZmn8ncT++omrG0hvSTkt/s3s2CgtjKlbI1aBr+MfXHP/6RMcbX+eWq61k1rVarUqlsbW2VuPOLn5B88cUX0puSWEpSr9dv377dz8+Ph76Km+Yqql1x56Ukx48fL2ejK1YwgMldseSZMjIyALz88svsUTX6jRs3mqdrvsNC+lXCSjIzM1UqlYODgymb16smYynJU6dOjRs3bt++faa8+OF9orXB3bt3+eOWeOhlY6En2vGSUnwCw7e25plrDK6uroWFhXl5ec2bN5exWV54fuzYsfzKjBSrVq3SaDR+fn5eXl4Sm/L09OS7d0xhmccIP9GKFSuKi4v9/f2NRQrkYaEn2jk4ODRp0qS0tLSoqMj8cVeiuxYtWrzwwgv8mQtSMMZiY2MB8FJh5lRb4m4wGJT6EVjueaXG2BmP9ObpV6HuPv3004KCAuON4TWWlJSUmZnZunVrXvTUnGpL3BMTE3Nycjw8PAYNGiRz046OeP55lJTg5k2ZW34WY+zqx9EdgCzPeudFwqZMmWK8jm42tSXu/EcwdepURX4EFjrAG2PH/3DZXA+AN3N31ZKenr5v3z4HB4dx48aZv/daEfcrV64cPnzYyclJqR+Bhabvxrg3a9bM1ta2sLCwtLRUue74TSRQ8uguXUxMDGNs3Lhx0s93a6BWxL1Vq1a5ubkbN27kOxHkZ9Gj++XLl62srPgzOfLz8xXqa/Xq1V26dOEfkrxfvnmhVrl9+/a6detUKpXMF99MViviDqBFixbyz9ofuduuXZGXV/a9ewq1/zQVj7LKTTA0Gs3IkSPHjh1bUlKSnZ0NICcnB8D169e1Wq3s3UkRFxd3//79gQMH8p0I5ldb4q6o/zRt6pySEnHmjJn7fTzusk8wTpw44eXltWXLFicnp3Xr1i1evDghIYE/jrhJkyZ6vV7e7qTQ6/VLliyBJa4/GgkRd0vNZVu1amVlZVVQUFBeXi77GBhjMTExvr6+2dnZ3bt3P3ny5IgRI6ZOnTpixAiNRtO7d+/jx487OTnJ1Z1027dvz8vLa9euHd+JYBkSl3DrBP4R7+7ubv6uW7RoASAvLy83N/fUqVMajUaWZouKivi9YyqVKiwsrLS0NDMzs1u3bgBsbGwiIyMVrdZSM59//rmNjc2SJUssOAYh4l5aWqpSqWxsbJQoGV61Hj16QO7KWEeOHOGlWho1arR582bG2JYtW/i2WHd3d1lKnigkLy9P0UIDzyRE3Blj/IZIhe5vf5qEhAQHBwdXV1d+G06aCQ+vq5rBYIiOjub3cXp7e+fk5PCnFfAP6hEjRihUJ7reECXufCtSjR/2Ul1arZY/OA2Am5ubsTL1gAEDdu3aVbOZxvXr1wcMGGCcwOh0uvT0dH7nV4MGDWpQZlVAQsS9vLyc3xO5ZcsWM3SXmZlZ6WkFWVlZFSu1t23btlKFxGfat28fPw1wdnbevXs3Yyw+Pp432KFDh/r3eDaF1P+4X7t2zXgp4KuvvlK6uy1btvCd3O7u7pU+THiFxCdWaq9Cxefy9evXLz8/v7i4ePTo0byRkJAQpQvN1Sf1PO7Jycn8xjl+IGzcuPFJCc+dq5qJ0+inVWp/4gzn8uXLf/jDHwCo1eqIiAi9Xn/ixAn+jBMnJ6e1xio6xDT1Nu56vT4iIoJvOOvbt++SJUuMZdn4fezy3ihdg2n0yZMnjRUSAXh6evJK7RVfk5qaam9v36pVqwMHDvDzVDs7OwDdu3fPysqScfyCqJ9xz8vL4wVmKx4UX3zxRf4vPF4mPrzOFManFdRgGn39+vXIyEg+NgAuLi7h4eEVb+LeuXNnUVHRnTt3eNFMPoGp9FtBTFQP475nzx5+2bFZs2Z79uxhjMXHx/ODaKdOnY4ePWr6w+ueqbi4eNSoUdKn0bxSO69xjkfPmj18+DD/36NHj3p4ePAL7Zs2bapZF4TVt7g/eMBmzPiiVy8AgwYNunHjBt8+ZYyjcY2j0sPrrKysKj28zhQpKSmyT6N//vnnESNGGD+CunXr1rFjR14n3tfXty4+qKdWqUdxz8lhPXsywODsHBcVZTAYjh07xp+13bBhw6dVAXjiw+ueeZDm02h+a48S0+j8/PyKFRIB8Avt8vYioPoS9+3bWePGDGBubuzQIWYwRP3rX3z10cfH55kX+/jDHPm9dnzOEBYWlpub+7QXG6fRoaGhEh8SXYV79+698847r7766sKFCxXqQjR1P+5aLQsLe1jWfehQdusWKyxkgwYd8fPjq4+mF5vX6/VPe5ijUcVpNN+vQuqQOh738+eZpycDmJ0d45f/kpNZy5YMYC4ux2q6MatSifHu3bvHxcUVFxf/69EnRs+ePXNycuT8RohZ1OW4b9jAHB0ZwNq3Z6dOsfJyFhnJ1GoGMD8/duWKxOavXLny8ccfN23alIfeeFI7a9Ys8xQ3JbKry3H//numUrGgIHbnDrt2jb3xBgOYSsXCwph8Z3W8xDgvx6VWq+v6g+oFp2KMoQ7Jz8cPP6CsDP36oV07HD0KHx/8+CNCQnDtGlxcsGYNlLlZJikpydPT07geROqiOnXzXkoKAgOhVuP55zFmDHbsgI8PYmPRvz+uXcOAAUhLUyjrAAYPHkxZr+vq1NE9MBAzZ4LXOM7NxeDBOHcOFy7A2xtTpuDTT2FVp357idnVqbi7uyMjA4/2VMHVFdnZsLODRoNGjSw6MlI31KnDob09Klbh0uvBrxVS1olp6lTc/fywY8fDP//8M7p0odkLqZY6NZm5dg0jR6JNGzRogJQUrFkDCxWjInVUnYo7AMZw8SLKytC2LcxeLpnUdXUt7oRIQHNfIhCKOxEIxZ0IhOJOBEJxJwKhuBOBUNyJQCjuRCAUdyIQijsRCMWdCITiTgRCcScCobgTgVDciUAo7kQgFHciEIo7EQjFnQiE4k4EQnEnAqG4E4FQ3IlAKO5EIBR3IhCKOxEIxZ0IhOJOBEJxJwKhuBOBUNyJQCjuRCAUdyIQijsRCMWdCITiTgRCcScCobgTgVDciUAo7kQgFHciEIo7EQjFnQiE4k4EQnEnAqG4E4FQ3IlAKO5EIBR3IhCKOxEIxZ0IhOJOBEJxJwKhuBOBUNyJQCjuRCAUdyIQijsRCMWdCITiTgRCcScCobgTgVDciUAo7kQgFHciEIo7EQjFnQiE4k4EQnEnAqG4E4FQ3IlAKO5EIBR3IhCKOxEIxZ0IhOJOBEJxJwKhuBOB/D896QHl6XXElQAAAABJRU5ErkJggg==)
Find more compounds similar to Benzeneacetic acid, tert-butyldimethylsilyl ester.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- NIST Webbook
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