- InChI
- InChI=1S/C28H48O3Si/c1-19(8-13-26(29)30-4)23-11-12-24-22-10-9-20-18-21(31-32(5,6)7)14-16-27(20,2)25(22)15-17-28(23,24)3/h9,19,21-25H,8,10-18H2,1-7H3/t19?,21-,22?,23+,24?,25?,27-,28+/m1/s1
- InChI Key
- XCHAAEKPDWQLIP-NMUHBOGFSA-N
- Formula
- C28H48O3Si
- SMILES
-
COC(=O)CCC(C)C1CCC2C3CC=C4CC(O
[Si](C)(C)C)CCC4(C)C3CCC12C - Molecular Weight1
- 460.76
- 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.
- 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 | 0.6634 | Relay (... Calculated Property | |
| ΔfG° | -13.36 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -843.46 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 127.36 | kJ/mol | Relay (... Calculated Property |
| IE | 8.44 | eV | Relay (... Calculated Property |
| log10WS | -6.09 | Relay (... Calculated Property | |
| logPoct/wat | 7.375 | Crippen Calculated Property | |
| Pc | 135.13 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [3200.00; 3200.00] |
|
|
| Inp | 3200.00 | NIST | |
| Inp | 3200.00 | NIST | |
| Tboil | 684.07 | K | Relay (... Calculated Property |
| Tc | 949.46 | K | Relay (... Calculated Property |
| Tfus | 389.17 | K | Relay (... Calculated Property |
| Vc | 1.435 | m3/kmol | Relay (... Calculated Property |
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4vF4ps3bwreuAaVlZVqtTotLU0mk+3bt6+4uPjAgQPDhw8HACsrK57XAXOMKO6EkPr6+gULFtBTGzTlI0eODA8PP3v2rG4V5AUFBfRISE/FC53Mnj0beFf/dosrM9bHijitb1u0aJHgLXfr0KFD8+bNu3Dhwr/+9a/a2to7d+58/PHHM2bMEPDQ3LjiTghRq9XDhg2jf8t79+7xb3DHjh0AYG9vz3/nMM0MsFDNEarMuJPa2lq69JGbmytgs1qKioravHkz/bqwsPDDDz9sb28XtgbE6OJOCKEXbQj1mlapVPQk67x58wRpsCv0c+lvf/ubXnvhCFJm3MmGDRsAICAgQKgGe6S0tHTGjBleXl5Hjx7Nz88PDg4WvAtjjDtdfBDwhDlXdpKUlCRUm53cvn3bMAvVnJ6WGXeroaGBnga5oNNZfaEUFBS4ubkdOHBAH3E3xhtNtra2AkDHBUeenJycYmNjAeCdd94pLy8XqtmOPv74Y7Va/Ze//IVeUGIAZmZmiYmJJiYmn376qYbbM2lv165ddXV13t7ev//97/m3pr329vbo6OhLly7Rv7uLi4uHh0dtba0++jLGDa/79+/f0NBQX1/PFS8IYuHChUePHvXz86P7dQnYcklJyXPPPScSie7evevk5CRgy92Kjo6OiopycnLKz8/X/OtSKpVd3YyEun37dkNDQ3p6+qxZsww2/oKCgtDQ0NzcXBcXl7CwsBMnTqhUqgEDBkRHR3/xxRf0TUpIgn9e8EdLOrutjO2pqqoquhH77t27hW35rbfeAoA///nPwjarDe4av6CgoHPnzh05cmT37t2bNm1as2ZNSEjIn/70p2nTpo0aNUqbN45BgwZ9+eWXBht5t5Vep0+fnjt3Lp89HZ5kdO/uhBB68zeVSiXsezAAHD9+fP78+ZaWlteuXRPklkYAUFlZOWLEiLa2tuvXr9PdYAyMTnatra01TwCkUmnH+/Jxd+rj2NvbG+xGk2VlZa+//jqdgwUFBSUkJHS6eURbW5urq2txcbFMJouKihKsYwFfOoJoaWkBADMzMz21/8orrwDAjBkzhCo7obsgBQUFCdKaNsrKyq5du8Z9W1xcLJVKTU1NZ86cuWDBgrfeeisyMjI2NjYxMfHEiRMXL14sLCwU/voMHjpWeh0/fryrh+ljsdXo4l5fXw8A1tbWemq/rq5u6NChINB5/pqaGnrq15AL1cuXLxeJRHFxcfRbw5/z11llZSW9xhK0q/R6ckM1nowu7g8ePAAAe3t7/XWhQ9mJQqEoLy//4YcfMjMzU1JSPvvss+jo6PDw8AkTJgDA7Nmz9TfaTsrLy83MzCQSyX//+1/Se+f8dSCXy+3s7ADAxsZGy6p97iJMoRZbpYLNigQi+Crkk/z8/MLCwhISEkJDQ7OyspqamjTcbpKiO1E+tTUbGxu6tZNhbN++vbW1dcmSJc899xz9VqFQLFq0qFcOG7T06NGjdevW0c33Zs2atX//fi1vM2hmZnbw4MFp06Z9+umnc+fO5S7s0J0gLxoBFRYWAoCzs7Nee2lsbHR0dOT2UNDm9+7o6DhhwoQXXnhh8eLFK1eu3LBhQ1xc3ObNm+kGG4YpM6ZzJ5FIlJeXR3r7nL+W0tPTabgtLCzi4uJ0uPiQHqo6OTnV19fzHAyL7+4A0NLSolKppFKpWCymCxTcSkWnO07SH3aszexEpVLJZLLQ0NAbN27o+20+Nja2qanp5Zdfnjx5MgDQbU4CAgLc3d312q9uHj9+/MEHH9D9mDw9PRMTE3VbDYuMjDx16tTly5fXrl3L577NAMb37p6XlwcAkydP1l8XKpXK398fAKZPn86/htZgZcb19fX05fTdd98Roznn35Xa2lq6NUu/fv22bdvGs9KLq2zV/h4WT2V0cf/uu+8AwNPTU39d0N1GHRwchCrLMUyZ8ebNmwHgxRdfpN/GxMQAgLe3t/565GnZsmXjx4/vuGbKxyeffEL/anwqW40u7t9++y0A+Pj46Kn9f//73xKJRCwWp6enC9isvsuMm5ub6SnhzMxMQohCoaDb9Qj7fyGsxsZGAc+JCnLfZqOLO73W09/fXx+N37t3j66F/eMf/xC2ZX2XGdOXk4eHB/12586dADBp0iQD7/bau/hvqGZ0cT9+/Djo5z5KbW1tM2bMAICXXnpJHxtHlpeX07m14GXGbW1t9JKXtLQ0+i29qu3YsWPCdmT8eG6oZnRxT0lJAYDFixcL3vLKlSsBYNiwYfrbTXf//v30jyHIdVichIQEABg7dix9ldJeXF1de2u3197FZ0M1o4s73bk3JCRE2GaTk5MBwMzMTJuNM/mg1zQJuLtde3s7Xb+jNwNrb2+nJ5gOHTokSPt9Drehmg5bmRtd3Om5N2Fv1nznzh16OkaoC9o1ELzM+NChQwAwatQoWtNGX7cjR44UfNPwPkQul2/atEmH34DRxT0+Ph4AfH19hdq7orGxkW5To6dbZj/p2LFjAGBpaSnIDenpDQb37dtHCFGr1fQEkwFet79JRhf3u3fvBgUF0dMTc+bMkcvlPM8ELVu2DADGjx+v5Z7IgqC3fRWkzPjhw4dbt26lv4S0tDQAGDx4sJ5udPWbZ3RxJ4QcOXLE29ub7g8MALa2titXrszOztZhNkzX76ysrAoKCvQx1K4IW2bMoStLO3bsELBNphhj3KmffvopLi6uYzXI0KFDw8PDr169qmULFy9eNDU1FYlEqampeh3qU3Flxh1vU8VHZmYmffH34m3J+jrjjTvn5s2bMpmMuzcOADz//PMymaykpETDsx48eEAL8fS6Q7lm9BrWiRMnCrK73YsvvggA3MZDSAdGd61qV9RqdU5OTmpqanJycnV1NQCIxWJPT8+goKBly5bRlamODw4ICMjIyPD09MzKyqI3hDK85ubmSZMmFRYWrl+/ftOmTdo8hdsmgNsggG4ZUFpampmZ2b9//9LSUkOW1//G9Jm4c1pbWzMyMlJTU48ePdrc3AwAZmZmfn5+oaGhgYGBdBeDyMjILVu2DBw4MC8vr+M28IaXk5Pj5eUlEokyMzOdnZ2feu0I98OamhqlUtlVU8HBwXPmzHn11VcNOf7fmL4Xd059ff3XX3+dmpp65syZ9vZ2ALCxsXn55ZfHjBmzceNGkUh0+vRpPz+/3h4m/P3vf9+2bZuWDx4wYECnDQJsbW0dHBxsbW1dXFzoHRWRzvpw3DkVFRVHjhxJTU2lxcMSiUSlUsXExKxbt663hwYA0NrampWV9frrr1tZWXUMcaetL+hlJXTTEaQnv4W4c27dupWUlKRQKLy8vObNmyf4NjWor/tNxR0hzYxxS1SE9ATjjhiCcUcMwbgjhmDcEUMw7oghGHfEEIw7YgjGHTEE444YgnFHDMG4I4Zg3BFDMO6IIRh3xBCMO2IIxh0xBOOOGIJxRwzBuCOGYNwRQzDuiCEYd8QQjDtiCMYdMQTjjhiCcUcMwbgjhmDcEUMw7oghGHfEEIw7YgjGHTEE444YgnFHDMG4I4Zg3BFDMO6IIRh3xBCMO2IIxh0xBOOOGIJxRwzBuCOGYNwRQzDuiCEYd8QQjDtiCMYdMQTjjhiCcUcMwbgjhmDcEUMw7oghGHfEEIw7YgjGHTEE444YgnFHDMG4I4Zg3BFDMO6IIRh3xBCMO2IIxh0xBOOOGIJxRwzBuCOGYNwRQzDuiCEYd8QQjDtiCMYdMQTjjhiCcUcMwbgjhmDcEUMw7oghGHfEEIw7YgjGHTEE444YgnFHDMG4I4Zg3BFDMO6IIRh3xBCMO2IIxh0xBOOOGIJxRwz5Py5Ra9/WDWB2AAAAAElFTkSuQmCC)
Find more compounds similar to 5-cholenoate, 3«beta»-hydroxy, methyl ester-trimethylsilyl ether.
Sources
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- Crippen Method
- Crippen Method
- NIST Webbook
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