- InChI
- InChI=1S/C19H12F10N2O2/c1-3-9(31-33-5-8-12(22)16(26)19(29)17(27)13(8)23)6(2)30-32-4-7-10(20)14(24)18(28)15(25)11(7)21/h3-5H2,1-2H3
- InChI Key
- QCZSYWXPYQVQDO-UHFFFAOYSA-N
- Formula
- C19H12F10N2O2
- SMILES
-
CCC(=NOCc1c(F)c(F)c(F)c(F)c1F)
C(C)=NOCc1c(F)c(F)c(F)c(F)c1F - Molecular Weight1
- 490.29
- 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.
- I : 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 | 0.9715 | Relay (1.0) Calculated Property | |
| ΔfG° | -1271.50 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1412.67 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 99.88 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.83 | eV | Relay (1.0) Calculated Property |
| log10WS | -9.13 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.953 | Crippen Calculated Property | |
| McVol | 271.850 | ml/mol | McGowan Calculated Property |
| Pc | 968.07 | kPa | Joback Calculated Property |
| Inp | 1419.00 | NIST | |
| I | 1837.00 | NIST | |
| Tboil | 613.58 | K | Relay (1.0) Calculated Property |
| Tc | 803.39 | K | Relay (1.0) Calculated Property |
| Tfus | 371.45 | K | Relay (1.0) Calculated Property |
| Vc | 1.013 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
![2-Butanone oxime, o-[(pentafluorophenyl)methyl]-.](data:image/png;base64,iVBORw0KGgoAAAANSUhEUgAAAPoAAAD6CAIAAAAHjs1qAAAYoUlEQVR4nO3de1RTV74H8F8CIQgIAoLiA4sVUFGo4ov6Fquj1eu0mtvbq501tTWttw7XuTOa3mVr7J3patreuULveCvTzrRaV52h6KxF1dpSpR1Z9XWIoCIPURAMIiDvVyDJvn9siEACBHKSc5L9+yz+0HByzga++WXvfU7OlhBCACE2SIVuAELOg3FHDMG4I4Zg3BFDMO6IIRh3xBCMO2IIxh0xBOOOGIJxRwzBuCOGYNwRQzDuiCEYd8QQjDtiCMYdMQTjjhiCcUcMwbgjhmDcEUMw7oghGHfEEIw7YgjGHTEE444YgnFHDMG4I4Zg3BFDMO6IIRh3xBCMO2IIxh0xBOOOGIJxRwzBuCOGYNwRQzDuiCEYd8QQjDtiCMYdMQTjjhiCcUcMwbgjhmDcEUMw7oghGHfEEIw7YgjGHTEE444YgnFHDMG4I4Zg3BFDMO6IIRh3xBCMO2KIp9ANQGLUYDD8/t693o/sCAuL9vERqj18wbgjKzpMph8aGvaGh4/28KCPBMtkwjaJFxh3NKCVY8aEuEXKzbDvjhiC1R0N6BcFBVKJBACe8PY+FBkpdHN4gHFHA/p9RESgpycAeEndpBeAcUcDCvf2xr47Qq4K444YgnFHVvh7ev5nr0l3tyEhhAjdBiRSZ+vqbre3rw0MjHL986kUVnc0oB8aGo5UVd3T64VuCG8w7mhAepMJALzdZRYSMO5oEB0mEwDIMe6IBR1Y3RE7ujszEonQDeENxh0NCKs7YkgHIYB9d8QIrO6IIXqcmUGMIACdJpME445YoDeZCICXVOo+8zIYdzQQ9+vJAH68Aw2ko709uq3NVy4XuiF8wisikXXFxcXR0dFRUVFFRUVCt4U3bvVWhXjU1tYGAKNGjRK6IXzCuCPr2tvbAcDHXa50pzDuyDqs7oghrFd3g8HguHYgsXHL6m7rRGRJScny5cvVavWOHTskbnRFqJNpystru7rM/10xZsyG4GAB2zMIpqv7n//858rKytdee23NmjUlJSUObZMbu9TUNFYmSwwMpF+RIq6dblndbY37e++9l5aWFhIS8v3338+ePfvAgQN6N/rErjPF+vmtCwqiX2K+YzrT1R0AFApFUVGRUqnU6/XvvPNObGxsVlaW41qGhOWW1X14FxEEBgampqZu3br19ddfLygoSExM3LZt28GDB4PF2gEVoT9UVBzS6ei/j8+Y4e8p0us4aHUXc9y/qqmp7NXFmOHjsyYoaPCnjGQictmyZXl5eRqNxsvL64svvpg1a9bRo0dHsB82/WLcuP+dNo1++Yn4Nl3i78x8U1d3u719lIcH/bLpNsXEDsXFxatWraL7Wb9+fWlpqT17Y8GmGzdOP3rU+5FWgyGjttYkVIMGcPXq1YiIiFGjRq1Zs6a5uVno5lj3cmHh0aqqYT3FrtNMkZGR33///ZEjR4KDg8+cOTNz5swDBw50dnbas0/W/F9l5TtlZa8WFd1tbxe6LQAAhYWFW7ZsWbBgQWlpqUQi+e6772JiYk6dOiV0u3jCy+usqqrqpZdeojuMjY29dOkSL7t1P5bVPbOubm1eXjzHLcrJ+Vin0xuNQrWtoqJCqVR6enoCgI+PT1JSUlZW1sKFC+mfdcOGDeXl5UK1zaqXCws33bihLCqiX7qOjiGfwk/cqfPnz0dFRQGAVCpVKpWNjY087tw9nH306J7FX6XZYPiwvHw+x8Vz3KYbNy45/fdWW1urUqnoqFQmkymVSp1OR79lNBpTU1P9/f0BICAgIDk52WAwOLl5A3m5sPBAaekP9fX0q9WGhvEZd0JIW1ubWq328vICgLCwsLS0NH7378bympv/OT8/nuPiOU51505dV5cTDtrS0qLRaAICAgBAIpEoFIri4mLLzXQ63ZYtW2iZnzt3LsdxTmjbQK40Ne0pKdEbjSPou/McdyovL2/RokXmN8F79+454ijux2Ayffnw4RKtNp7jVl67dqKmxnFDWL1en5qaOm7cOPpnWr16tVarHfwpGRkZ4eHhAODp6ZmUlOT8IWx+a+u/FRfTivC3hw/FEndCiMlkMr8J+vj4aDQa8bwJitz9jo5dPX/UHYWFpe3t/O7faDSmpaVNnTqVBj0hISErK8vG57a0tKhUKg8PDwCIiIg4e/Ysv20bSFl7u+rOnXkcF89xS69d++j+/VaDQURxpyorK81D2Dlz5ly5csWhh3Mnp2trV+fmxnNcglb7WVmZXq/nZbeZmZmxsbH0LxITEzOy3qZWq503bx7diUKhePjwIS9ts+qhXv9uWdmCnJx4jlus1X5YXm7u5qVVV+cM8x3GsXGnvv766ylTpgj4JuiiGg2Gd8vK5nHcxnffjYyMPHfunD17y8zMNGd0ypQpqamptrzfvvbaa8ePH7d8vKurKzk52c/PDwDGjBmTnJxs5HtOqaGr66P795/WauM5bmFOzrtlZdWdnXbu0xlxJ4S0traa3wQnTpx48uRJ5xzXDVytro6OjqZDSaVSWVdXN9w9XL58OTExkQY9JCREo9F02DBnRwgxXxP1s5/97O7du5Yb3L17d926dXSbJUuW5OfnD7dtVrUZjZ8/eLD82rV4jpvHcao7dyyns0bGSXGnrl69OmfOHPrbeeGFF6qG2fFiVmdnp0ajkcvlADBu3LgjR47Y+MRbt24pFAr6+YSgoCCNRtPW1mb7cU0m05EjR8aOHQsAo0aNUqvVVvtUGRkZEydOpJOYKpWq3Y7BRkdHx99u3qS9uHiO+/fbt4uG0+AhOTXupGced/To0TKZ7O9//7uTj+7Sbt++bS7SK1euLCoqGmTj8vJypVJJ3059fHxUKlV9ff3Ijvvo0SOlUklfM7GxsRcvXrTcpr6+PikpSSqVAsC0adMyMzOHexTzADp62bKFOTm/LCjgmppG1uBBODvu1JUrV+jEvCBHd122lNuamhqVSuXt7W0+Z1RZWWn/obOysnr3qayeQ8zOzo6JiTEPYaurq238odLT06dPn06fGBcXd+HOHfsbbJUwcaefh5o6daogR3d1A5Xb5uZmjUZDJ3+lUqlCobh9+zaPx+13DtFqn4r2u+iLLSgoKDU11WQa7OTBhQsXlixZMtwB9IgJE/cbN24AwKxZswQ5unv44YcfzOX21VdfTUlJCQ0NNZ8zunbtmoOOe/369YSEBPM5xLKyMsttSkpKnnnmGbrN8uXLCwoKLLcZ8QDaHsLE/fLlywAwf/58QY7uNtra2t58802ZTEZDDwArVqz46aefHH1c2qcKCgoa/Bwi/bQnAHh7e6vVanOaCwoK+g2gW1tbHd1mSpi40xmu5cuXC3J0N5Obm0uj88033zjzuA8ePDCfQ3zqqaesnkOsq6sz97uioqL++te/9r7o0p4B9MgIE/czZ87Q2VxBju5mWlpaaHoEOfqpU6foOUR6GWyTtemUc+fORUZGAsDo0aMBwMvLa9euXQ8ePHB+a4WJe3p6OgA8//zzghzdzdTU1ABAcHCwUA2g5xBpzZ4wYcKJEycst2lvb6c99ZiYGKtnrJxDmJvmif9jvy6E3jJAwA+V0u47x3ELFiyorKzcvHnzxo0bKyoqem/j7e29dOlSANi8eXNERIRALRXoHpGC/4XcidXPULe2tjq5GXFxcRcvXqTnEE+dOqXVavttIIYaJ2R1x7jzwuoNYdauXSuRSLKzs53ZEtp9z8/Pf//99zdt2tTvu2L4owtZ3bEzwwurMRLw/XPy5Ml79+61fFwMf3Tsu7s8qzES4W+Y3eouhp/cbYitug+E3eouhp/cbWB1tx1Wd5dntZBjdbcKq7vLs1rIOzo6LB8UlhhqHM67uzzLX6ZerzcajXK53ENMt1wVQ43DmRmXZ/nLFEOwLGF1x+rOA8u4iyFYlsTwIsTq7vIsa4cYgmVJDDUOq7vLc5XqLoYah9Xd5blEdTcYDF1dXR4eHvSjrkLB6u7yLGu5CH+9ImkSnmZyeZa1XIRvniJpkpBxp7dnQHbC6m47AeLe0dFhMpnEdhLEdWF1t50AcceeDL+wuttOgLgPNG9gMpnop4zRsGB1t51gcbd8oR8+fDgqKiolJcVkMjm/Va5roIlIwUtpbyJpkmCdGcsX+oULFxoaGnbv3r1ixYqCggLnN+wxkwnS02HnTti2Dfbvh5ISIRszlIFOMwleSnsTSZNEVN2PHz+ekZExadKkCxcuxMXFvfnmm/QqVmczGmHTJkhKgtBQSEiAoiKYNQtOnxagJbax/H2KJFu9iaS6O/u2ShUVFc8//7y/v39ISIjVuxk2NDSY7xT+5JNPfvfdd05uITl8mPj7k56FRQkhZP9+EhJCeL2vPl8MBgMASKXS3g9mZ2enpKQIuxxkP59++ikAbN++XdhmOC/u1dXVv/71r+lcOz2TLJVK33jjjYaGBsuNL1y4QO8ULpFIdux4o7bWac0kJDGR7NzZ55GmJiKVkjNnnNgIWzU3NwOAn5+f0A0ZwkcffQQAu3btErYZzujMtLa2vv/++5GRkQcPHtTr9QqFguM4tVotk8kOHTo0ffr0o0eP9nvKkiVLrl27lpyc7OPjc/v25shI+NOfgBAnNBagtBSmTevzyOjRMGEC3L3rlMMPjwgvj6mvr7d8UCz9K4e+mAZfq7aoqGjlypX0W88++6zVO4UXF99et84IQABIYiLh9fb8A5g9m3z4Yf8Hw8LIxx87/tjDVlZWBgBTpkwRuiGEEHLv3j2lUhkQEGC56pZarQYAtVotRLsec1TcbVyrlt4pPDg4GIa4UzgJDSUAxNubqNXEUbe9b2khhJDnniM7dvR5vL6eSKVk+OsNOZper9+3bx8ABAQEWF0ywGmqqqp27dpF+6heXl6Wd0WlN1rSaDSCNM/MIXEf7lq1ve8UHhcXd/nyZctt6uqIUkkkEgJAIiOJfWuMWqioIEolmTyZtLSQv/yF+PmRiorH3923j0yYQPR6UllJrC0y6nwGg+Hzzz83r1YLAHK5vPeSAU5juUJOSUmJ5Wa/+tWvACAlJcXJzeuH57iPbK1a6vTp00888QQMeqfw8+dJVBQBIBIJ+Y//4KPF1dVk924ilxMAIpORs2eJ0Uh+/nMybhzZv58cOkQUCjJqFKETRAoFASArV5JBV71ztMzMzLi4OPpLnjlz5meffWbnqncjQ3uqvVfIyc3Ntbrl/fv3Z8yYAQDbtm0bfKkmR+Mt7rwstdPS0vKb3/yGlquNG/MzMqxs09lJNBoil5PkZPta3NxMNBoSEND96lEoHo8MjEZy4gTZuZNs3Ur27yfm+5F/+ikJCiIAxMeHfPAB6Vmt3Gmys7PpbaMBIDw8vHc1Ma96J5FIXnrppZqaGsc1o7OzMzU1la6lCgCLFy/+xz/+YXXL2traPXv20BEqXctg8eLFN2/edFzbBsdD3O1cq9aSVqtVKA7SfsvmzX1mwM2Ki8nIV2jT60lqKhk3jtAh8OrVpNcAegiPHj3uVMXGEmuLjDrC9evXFQrF4NVkuKvejYDJZEpLS6NLcQDA7NmzB+qptrS0aDSaMWPG0FegQqH4+OOPJ0+eDAAymSwpKamFjpScy66487hWbT9GI0lNJf7+BID4+5PkZDvC3UtXF2k+epJMntwd9KVLSXb2SHaUlUWio7vfFpRKYm2RUb4UFhaaq8no0aNVKpXVbp6ZLavejUxmZubcuXPpnqOjo9PS0qy+nGjtDwsLM3dyzCe86DlEGpipU6d+++23fLXNRiOMu4PWqu2nsrK7twxA5s4ldp4lzMwksbHkfxLSCACJiSFDDaCH0NZG1Gri5UUASFgYsXnhdttVVFT0XrgrKSnJxoV5Sa9V7+hqw3YOYS9evGieMp40aVJqamqXtY4cnY578skn6ZYLFy48Z21KIScnJz4+nm6jUCgePnxoT9uGZdhxd/RatZYyMkh4OAEgnp4kKYk0Nw97D99+S+bN637ZREeZ2r/6mhiN/DTu+nWSkNC96w0byL17vOy1trZWpVLRLi+tJjqrXbpB9Vv17vz58yNoSX5+vvm9JTg4eJCear8B9EC1n+rq6kpOTvbz8wOAwMBAR/S7rBpG3C3PGTlurdp+WlqISkU8PAgAiYggti+oePkySUzsTmNoKNFoHDBnbzSSP/6RDnlvxcampKTYs+4z7fIGBASYu7zFxcX2tO7HH3+k66/TIWytzddjlJWVmXuqvr6+KpXK6uUehJDs7Oxly5ZZHUAP7s6dO2vXrqVPXLp06a1bt2z9qUbKprjTNyk6SwgATz/99I8//ujollnSah8X6Q0byP375MQJ8vrrpPd44e23CZ21v3WLKBTdQ8qgIKLROPgSL53OtGXL0thYAJg/f77W9rFvj8HPQNujvb1drVbL5XIAGD9+vNXF3ftpbGykEylyuXz37t0DdaJ6D6DHjh07sum4Y8eO0dlMuVx+OCND78gyP0Tc6Ug8KiqK/kizZs0a8pyRQ3V1kQ8+ID4+BICsX0/27iUAfS7oiooiX3xBtm/vfivw9SX79pEBqhL/zIuMenp6JiUlDT6mNLPxDLSdiouLV61aRQ+xfv360tLSwbf/7W9/u3379nsDdM8sB9CNdozX6+vrk5KSgidNekar/fmNG5dt+72NwBBxNxqNTz31FB2JHzlyxMhXl9c+d++SjRvJjRtk716yYgXx8yOXLnV/KyqKHDtGXn2VyGREqSQOGD8PgS4ySvsAEydOtLrIaG/DPQNtj36XbKjVar1eP9ydWA6g+RprXtXpNt+8Gc9x8zjuv8rKGh1wWmPozkxmZuYnn3xidSQuuL17ydatRK0ms2eTzk5CeuJeWUmGKl6OlZubu2DBAhriDRs2VPS+JKGHPWeg7VFVVWW+ZCM2NvaSuVQMhZcB9OC6TKbPHzxI0GrjOW5lbu6Jmhp+ezbCrJrNFxr3tjbyxBPkD38gpCfuYmA0GukiowAQEBCQnJxsTjMvZ6DtdP78edpHpZdsDN4V4X0APbjyjo6dxcXxHBfPccqiorL2dr727A5xJ4RkZBA/P6LTiSjulE6n27x5M012fHx8eno6v2eg7dHW1qZWq+lljGFhYV999ZXlNnQAPX78ePMAOicnxznNy6yrW52bG89xT2u1qTpdJx9DWDeJOyFk40byy1+KLu5Uenr6hAkToOe6EV9f33379vF1BtpOeXl5ixYtMve7zGPTfgPoRYsWOWIAPbjGrq53y8rmcVw8x72Qn5/X0kIIaTIY0qure3/V0I6sDSTESZ8RcgiVCnQ6OHYMAKCsDGbPBgA4fBi2bhW2XVY0Nja+9dZbcXFxeXl5b731lnnCUQwIIZ988smePXuampp8fX3ffvvtOXPm7Nmz5/r16wAQExOjVqvNE47Od6Wp6b3y8gq9XgqwJSTkn4KDtxUWrgkK8pRI6AavjB8/xcYbMDrupekEvas7IeR3vyMAYqzuLuH+/fvPPfdc72xMmzbtyy+/FMN0nN5oTNXpEnJy1uTl3Wxpiee4phEN6z15fy0607p10Nz8+L979oBcDnPmCNcgVzZx4sSTJ0+ePHnyxRdflEqlBw8efOWVV2QymdDtAgDwkkqVEyYkBgbWGQy+dtxa1LU7M4h3TU1NAQEB/v7+jY2NQrfFurKOji35+c8GB8skEgCYKJe/3DOSHpJrV3fEOxHe2sCqKd7ecokEAMYO5/0H4476cJX7MytCQkYPv1cjzHIGSLRcpbqPDMYd9eEq1X1kMO6oD/FXdx8PjxVjxsh6Jt2HBfvuqA/xV/dQmey/ez4fOFxY3VEf4q/u9sC4oz7EX93tgXFHfWB1RwzB6o4Y4t7VHWdmUB+hmzb965Il0/38hG6IQ2B1R300+/kVeXt7iOlyfB5h3FEfHYQAgFzqnsFwz58KjViHyQQA3hh3xAK9yQRY3REjsLojhmB1RwzB6o4YgtUdMQSrO2IIre7eI/rwhPhh3FEfWN0RQ+hZVXeNO14ihvp4MTS002Ry16Eq3kUMdTvz6FG7yWT+7wxf35lud9U7VnfU7SOdLtzbe7yXF/1voEyGcUfu7F9CQlYFBgrdCgdyzy4aQlZhdUePpdfW/tTURP+9Nzzcy+1m3zHu6LFQmSyiZxkMt3zfx7ijx5YFBGDfHSE3gXFHDMG4o25PBwSE9Ey6uys8q4oYgtUdMQTjjhiCcUcMwbgjhmDcEUMw7oghGHfEEIw7YgjGHTEE444YgnFHDMG4I4Zg3BFDMO6IIRh3xBCMO2IIxh0xBOOOGIJxRwzBuCOGYNwRQzDuiCEYd8QQjDtiCMYdMQTjjhiCcUcMwbgjhmDcEUMw7oghGHfEEIw7YgjGHTEE444YgnFHDMG4I4Zg3BFDMO6IIRh3xBCMO2IIxh0xBOOOGIJxRwzBuCOGYNwRQzDuiCEYd8QQjDtiCMYdMQTjjhiCcUcMwbgjhmDcEUMw7oghGHfEkP8H+mzSuw5sL8EAAAAASUVORK5CYII=)
Find more compounds similar to 2,3-Pentanedione, PFBO # 3.
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
- Joback Method
- McGowan Method
- NIST Webbook
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