- InChI
- InChI=1S/C11H13ClN4O/c12-10-9-11(14-5-13-10)16(6-15-9)7-3-1-2-4-8(7)17/h5-8,17H,1-4H2
- InChI Key
- CKTCXOLCNXSTKZ-UHFFFAOYSA-N
- Formula
- C11H13ClN4O
- SMILES
- OC1CCCCC1n1cnc2c(Cl)ncnc21
- Molecular Weight1
- 252.70
- CAS
- 5463-96-7
- 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).
- 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 | 0.6743 | Relay (1.0) Calculated Property | |
| ΔfG° | 279.77 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1.56 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 112.75 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.94 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.67 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.956 | Crippen Calculated Property | |
| McVol | 174.100 | ml/mol | McGowan Calculated Property |
| Pc | 3260.54 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 646.39 | K | Relay (1.0) Calculated Property |
| Tc | 984.91 | K | Relay (1.0) Calculated Property |
| Tfus | 444.26 | K | Relay (1.0) Calculated Property |
| Vc | 0.656 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
![[2H6]Isopentenyladenine nucleotide, permethylated.](data:image/png;base64,iVBORw0KGgoAAAANSUhEUgAAAPoAAAD6CAIAAAAHjs1qAAAce0lEQVR4nO3deVhV1foH8Hefwzw4gIqYOGSlYA5ppf7wIBQmIngTPXAVh2550XtVzFuIPlpevXo9NEmRJpoiFuqDlomKOVxFwQSFaHCgFDVQJgFBmQ/nvL8/Fh3QCBn2PoPr/Tz9Acd91lrml806a+/9LgERgRA+yAw9AEL0h+JOOEJxJxyhuBOOUNwJRyjuhCMUd8IRijvhCMWdcITiTjhCcSccobgTjlDcCUco7oQjFHfCEYo74QjFnXCE4k44QnEnHKG4E45Q3AlHKO6EIxR3whGKO+EIxZ1whOJOOEJxJxyhuBOOUNwJRyjuhCMUd8IRijvhCMWdcITiTjhCcSccobgTjlDcCUco7oQjFHfCEYo74QjFnXCE4k44QnEnHKG4E45Q3AlHKO6EIxR3whGKO+EIxZ1whOJOOEJxJxyhuBOOUNwJRyjuhCMUd8IRijvhCMWdcITiTjhCcSccobgTjlDcCUco7oQjFHfCEYo74QjFnXCE4k44QnEnHKG4E45Q3AlHKO6EIxR3whGKO+EIxZ1whOJOOEJxJxyhuJuAioqKc+fOXbp0ydADMXlmhh4AeYTTp08HBgZ269bt8uXLffv2nTBhgre3t4+Pj729vaGHZnoERDT0GMifOnz48LRp02pqatzc3IqLi4uKitjr1tbWnp6ekyZN8vX17d+/v2EHaUIo7sbr4MGDSqWytrZ2/vz5GzduBICMjIzDhw8nJiZmZGRotVp2mJfXtZEjB0ycCAoFmJsbdMTGD4lR2rVrl5mZGQCEhYVptdqH/rSwsHDHjh2BgYFDhjwPgOw/Gxv088PoaMzNbTjs8GH8+uuGrzdvxpoaPf4FjBLF3Rht2bJFJpMBQHh4uO7FwsLCqKio7Ozspkeq1ZiUhEuX4pAhqMu9IOCIEfjuuxgWhn36YE4OIuK4cXjvnp7/HkaH4m50Nm3aLQgCALz33ntNX4+JiWG/kJ988smQkJCEhISaB0/XBQUYG4tKJXbqhAA4ZgyGheGHH2JAACLFHREp7sZGpcLu3TUDBkyKjIx86I+SkpICAwO7dOmim4j27Ok8bZrm888xL++BI6ur8dtv8dtvMSwMT5/Gv/8dExIo7oiI9FHViKxcCevWgVwO27bVzZlj0ewxGo3mhx9+OHjw4KFDh8zMeqelfcNed3MDf3/w9oZx4xo/sC5dCn5+MHgw+PmBIMDRo8D76qWhf94IIqJWi//6FwKgXI6xsa19V05OzWefob8/2to2zNrlciwpaTyAnd0R8fPPUSajszvSZSbDQ4TFiyEqCiwsYPduCAho7RtdXCznz4f586GmBk6fhsREKCkBB4fGAzw9wcUFAOBvf4P8fLBo/hcGR2gyY2AaDfz97xATA5aWEB8PkyeL38W1azB3LpiZwYkT4jduWowr7uHh4Wq1esWKFY6OjoYei57MmwdbtoCdHRw8CJ6eknRRXg6OjiCXw927YGMjSRcmw9CzqQd069YNAIqKigw9EAnt2IGrVzd8vXw5Jidj//549qy0nY4YgQD4v/9J24vxM6I7IhGxrKxMEISuXbsaeiwSun4dduyAtDQAgMxMeOYZyMqC//s/aTsdNw4A4PRpaXsxfkYU97Kysvr6+s6dO7OL54+xFSvgrbegvr7hWz18gqS4M0YU95KSEgDgYdb+xBMweTJ8+qn+elQoQCaD1FSoqdFfp0aI4m4YS5bA3r1QXKyn7hwc4NlnobYWzp/XU4/GyYjiXlpaCtzE3dwcVCrIyNBfj/qfz6jV6mK9/UC3jhHFnZ3dHZpeJnkcBQbC8OEAAAoF7NoFnTvrqV9PT83gwRW3bl3QT3d1dXWBgYFeXl7sn9VIGF3cH/uz++DB0LMnZGdDz56wahVYWuqpX4Wi9PLlTl9+6VlXVyd1X5WVlX5+ft98801BQcHt27el7q71jCjucyorvx80KLRvX0MPRB/69oWqKvj1V8jLAwDIyYGPP4b4eAl77N69u6ura1VVVXp6uoTdAFRUVEyePPn48eNOTk4nT54cOnSopN21iRHFvUte3nNZWQP0drozKDOzhrX25GQAgPR0ePNNiI6WttNx48YBwGkp5+9lZWXjx48/efKki4tLcnLykCFDpOurHYwo7sAmeY/73F2n6WfHceNAJoNz56C2VsIePTw8AODMmTMStV9UVOTp6ZmamtqvX79Tp049/fTTEnXUbsYX98d97q7j4QEAwLLn6AiurlBdDZJONNjZPSUlpV53iUs8eXnaV17x+fHHHwcNGpSSkjJgwADRu+g4irvBvPAC2NjA5cvAqmnoYaHQ2dn56aefrqioyMzMFLflnBwYN05mZqYaPvy5kydPPvHEE+K2LxaKu8FYWMDo0YAIKSkAksU9Pz+/6VKMFNP3q1dBoYBr10Ame+V//0t3dnYWsXFxGVPcS0sBOIo7/GH67u4ep9H8U61Wi9X+zZs3FQpFUFCQbvbywgsvAMDGjRu/+uqre/fudbyLK1fA0xNycmDsWDhxAhwcjClRf2ToWzJ/V1eHgoDm5viHmiqPsTNnqsaOjQkMXMG+HThwIACkpqaK0viVK1fYpGL06NHl5eWIWFJSMnz4cJvf73mXy+Xu7u4qlSo9Pb19XXz/PXbvjgDo6Yn374syamkZTdyLitDeHp2cDD0OvaqpqbGyspLJZMXFxYgYEhICABERER1v+dKlS2xS4eHhce/ePUQsLCwcNmwYAPTp02fp0qUeHh5N7zzt37//ggULjhw5UVXV2i4uXEAHBwRAX19s/bsMy2jinpuL336LFy8aehz6xhYHDxw4gIhxcXEA4Ovr28E209PT2YMyPj4+VVVViJiXlzd48GAAGDRo0K1bt9hhFRUVCQkJISEhvXr1YqF/8cW11tbo7Y0qFV650lIX+flob48AqFRiXV0Hx6s/xhH3bdvQzw83bcLZs3HJEkOPRq9WrlwJAG+99RYi3rp1CwA6depUX1/f7gaTk5M7deoEAH5+ftXV1Yh48+ZNtiw4fPjwZp8U02g0aWlpq1atCg6+JJM1ViNzc8O338aTJxsCPX58Q12D27cxLAwjI3HGDFSr2z1SAzCCuNfWopsb1tY2fPvKK484sTxejh8/DgDPP/88+5blst2T6aSkJFYIOygoqK6uDhGzsrJ69+7NumBTppYVFGBMDCqV2KVLY+47dcJPP8XBg1GhwNpavHEDp05t3wANzAjifvUqNv31vXIl7t1ruNHoW2VlpYWFhVwuLysrQ8TIyMj169fn6oqatsXhw4etra0BYObMmWq1GhEvX77MJioKhYJ9Wm29+npMT8dVq3DkSBQE3LsXR43CTZtw7VqKe0cUFaFC0fjtokV47JjhRmMAY8aMAYDExMSONHLgwAFLS0sAmD9/vkajQcSMjAw2g/fy8rrfsXWT337DykocNQrr63HsWDx1iuLeEePG4YULiIi3b+Pw4Xj/Pn7+OT8fW5ctWwYAy5Yta3cLTatjs1fOnz/PnhyYNGkSm8F33KhRiIhpaThmDMW9I3JzMTgYp0zBgAD8/nvMyEBzc7SywvffR43G0IOT3L59+wDAwcHh3XffTU1N1bTxr/zH6ti6GXxgYGCdeOsmLO6IOG8exV1ElZUYGoqCgAA4ejT+8osUnXz33Xfl5eVtzZYUZs+ezfLKODo6KpXK2NjY0tLS1rz9448/BoD//Oc/7NvExEQ2gw8ODlaLum6iW0HIymr4ZWxyjDLuzNGj2Ls3AqC1NapUYp3mb968qVKp2L2pEydOnD59uijNtltCQgIAWFlZbd26NTw83NXVVZd7uVw+cuTIVatWpaen/3EDj6Z0KzkJCQlsBj9v3jyJfpKXLUMAVKmkaFtyRhx3RCwrw5CQhsUwb2/87bd2t1RUVBQVFTV69GhdmJycnKysrADg008/FXHIbVJcXNyzZ08A2LBhg+7F7Ozs6OhoPz8/yyZPuvTo0WPWrFnx8fEtLLDs3r2bzeDffvvtln88OiIuruFKqiky7rgz+/axOzNO+vjExMS06a3V1dUJCQlKpdLi99pF1tbWSqUyISFBrVbv379fEARzc/OUlBRphv4IgYGBAODu7t7smbiysvL48eOhoaEurIwvAACYmZk1e6NLs/vbSCEvr2ElvgOXwgzGFOKOiIWFxSEhVmZmADB58uT8/PyWD9doNMnJySEhIez6IpsYeHt7x8bGPrQkt2TJEgDo3bu3/gtT7t69GwBsbW2vXr36yIMvXryoUqm8vb3Nm2yup9u1JjIykmV9zZo1ehj5gAEIgO29FGZIJhJ3RESMj49ni2tdunTZuXNns8dcvHhx1apVTbcadXNzU6lUBQUFzR6vVqvZXSteXl4duXTfVoWFhT169ACA6OjoNr2xuLg4Li5uxowZTUs2WFtbC4IQFRUl0Wgf8vrrCIAffqif3sRkSnFHxPz8fH9/f/ZvrFQq79y5w16/detWZGTkiBEjdAno06dPeHj4L61Y1SkoKGCXHlesWCHx8BstWHBYEGQ+Pj7tnmTX19d/9913K1as6Nmzp5mZ2YwZM8QdYQt27EAA/Mtf9NahaEws7oio1Wo3b95sZ2cHAM7Ozm+++aaXl5duIc/R0fGf//zn2bNn2xSjs2fPmpubC4LwtW4bUilt387uEc/T3ZzYEUuXLgUAlR7XSm7cQAB0cDC9iyKmF3fmxo0bXl5e8HsZJktLSz8/v/j4+FrdrWZt9N5777Fp0rVr18Qd6kNu3cKuXREAv/hCnAbfffddAPj3v/8tTnOt07cvAuCPP+qzTxGYatwRUaPRPPfccwAQGhrK7q/qCK1WO23aNAAYOnRoZWWlKCNsrhecMEHkmcC6desAYPny5aK12AphYWkeHouio3frs9OOM+4nC1skk8nY7bJjx47t3OFSi4IgbN++3dXV9aeffmJPFUlh0yY4ehS6dROzghK7elCj31LWAwf+fOZM1LFj+/TZaceZcNxB7H9pe3v7+Ph4W1vbuLi4rVu3itJmUzduwLJlAACffQZOTqI1a5C4s4oGZ86cQWPa2+uRKO4PePbZZ1nQFy1aJG4tRa0WXnsNKipg5kyYNk3Ehg0T96eeeqpXr1537tzJysrSZ78dRHF/2PTp0xcsWFBbWzt16lQRy5NfvAiZmdCrF3z8sVhNNjBI3OH3EnySVpwUHcW9GRs2bHB3d8/JyZk+fbpGo2l3O7m5cPlyw9esBGR8vPg1MO3tu7m4PGlt3UPkdh9FDwVWRUdxb4a5ufmePXu6d+9+4sSJtWvXtrud/fvBywvu3AEAiIgAQQB3d9EGqSOXv5Kbm52fHyl+0y2iuOsbi3utBGVze/fuvWfPHrlcvmbNmiNHjrTyXRoN3L0LpaVw/TrcugUA8OqrEBYm+ugeYGUFAAbYY2zQoEFOTk75+flXr17Vd9/tZdpbOko6bX3ppZfWrFmzYsWKoKCgKVOm1NbWarXa+/fv19fXV1ZW1tXVVVdXDxiw6Pvv51dVgVoNFRUPvP3pp2HhQlAoIDERkpKkGGADQ8VdEASFQnHo0CFfX9+pU6f6+fm5u7sLgqDvcbQFxb0l4eHhkZGR1tbWO3fubPYAe/vSpnuxyGQNey117Qo9fp9Lf/ABTJsG0m1KYqi4A8Bnn30GAPv27YuIiIiIiHB2dvb19Z04ceL48eN196IaFYp7SzZs2HDnzp1u3bp99NFHzs7Ocrnczs7O3NzcxsbG0tLSysrKxqabuTnY2oKZGdjbP/z2Tz4BAOjVCwID4Z134J13JBmkAePerVu32NjYefPmHTx48JtvvsnJydm2bdu2bdvkcvno0aP9/f29vb1HjhxpgJH9GUNf1u2QL7/8EgCCg4OlaPzKlSvsoc9Dhw61r4Xdu5FV01Cr0d8fr1+XpL5cdjYCYP/+4rfc9pFkR0ZGent7WzTZCLxfv34hISHx8fGsVKVhmXbc2TP8UyV4LF6tVr/44osAMHfuXLHaTEjAJ5/E69fFaq/B7dsIgM7OIjfbEX+sPgkA1tbW3t7eKpXqiuGqxJl23A8dOgQAkyZNEr3l1atXA0Dfvn3bWnyrBX5+CIAvvIA1NWI1iYhYUoIA2LWrmG2KRaPRpKenq1Qqd3f3ptUWdM9htfsO1vYx7bifOHECAF5++WVxm83MzLSwsBAE4ejRoyI2W1ra8Njb/Pkitoo1NahU4syZYrYphTt37sTHx8+aNatr16663B88eFCftU9MO+4pKSkA4O7uLmKb2pqaEc89BwCLFi0SsVnmxx/RxgYBcPv29rz95k2MjX3glRs38F//aijDe/IkGugR87ZRq9VJSUlLly5lqzc//fST3ro27bizu7hGjBghZqPLl593c/P38pLorvcvvkAAtLLCjIzWvqWsDGNj0dsbBQEFAW/caPyjtDR0csKPPkJEjIrCbdtEH6+EZs6cCfotfPI4XFUVcyEyNRXee++FrKyE1at1m7qIa+ZMmDsXamogKAjKylo6sra29vDhC1OngpMTzJkDJ06AtTX89a/w0N5NAQGwf3/DRVzTov+bzCjuTVRVwZw5oNHA0qWgUIjTZnOiomDECLh2Dd555wA2d794RkbG4sWLXVxcXn3VIzlZq1aDuztER0NBAezaBWx33vv34ehRAAC5HNavhyVLpBuv+MrLy6HJXTfN/k+QhN5+j0iBbXfRq1cvcZoLDW3Ys0KkkrktuH4dx4//BwCsX79e9+Ldu3dXrlzZr18/3b/O8OHDo6Ov3r7d+Mb6ejx+HGfNQjs7lMnw0CFcuBAR8W9/w4AAE5jMpKenOzs7e3h4sG/ZSqXeliZNO+4XL14EAAsLi4iIiJ9//rlDbSUno0yGZmZ6q/Z57NgxuVwuk8l06z/V1dXsKcQnnngiNDQ048HZfVoahoZijx4NRQQFARUKjItriHtRETo4mEDcS0tLZTKZpaUl2zQqKCgIADZv3qyf3k047qdOnXJycpLL5bpzoZOTEyuk2OYLeBUVDWuEq1dLM9jmsSICPXr00G3XERMTc+rUqaZrc9nZ2e+/X/7MM41bx7i64rp1ePMmImJhYeNqTHIyZmXpc/jtxDYATEpKQsRNmzYBgN4K05pk3LVabWRkJCsfp1Aotm7d+tprrzk1efzTysrKx8fn4JYtmJ3dqhbfegsBcORIPe+spdFoJk6cCACjRo166IJLaWlpbGyst7e3IAienqcA0NERQ0IwOVmfA5REaGgoAKxevRp///3srK9rwmLH/cABnDQJX30V33gDS0pEbhwREe/du8cqZAiCEB4e3rTSna6QIiuEe8rTEwHwyScxJAQTElq6mFlainPm4KVLUgy4ZSUlJazEH1vmr66ujo+Pnzx5su62Ezs7u4ULVd9+a5IlSJvFbv1gFwe1Wi0rHih1eR9G1Lj/8guOHYtsufqrr1CCMm5Xrlxxc3MDgE6dOn311Vd/dlhhYWFsbGzxggUNFYzYf/b2GBCAW7ci++iXmoq+vjhlCk6ahJmZog+19TIzM9m9aB4eHroKImZmZhMnTvzyyy8rKioMODYpFBUVCYJgY2PDfqEFBAQAwDa9fOwQNe6ffIIbNzZ+O3CgmI0jxsXF2drasvWK1p4M1Go8fRqXLcOhQxtzLwj48884bBgWFiIi5uTgsGGG3Qx38+bNjo6O7HMIq+H6yCrHJo2ds86ePYu/7z4ye/ZsPfQratzXr8em9dddXbG+HsW4RKxWq8PDw9lpb9asWe283llQgLGxqFTisGF47hzOmdP4R1OnYgcXdjqstLQ0JiYmyyQ+bHbYP/7xDwD473//i4g//PADALi4uOihX1HjnpiI8+Y1fH37No4Zg2fPNnwEjI7G9v5Szs3NZVsxWlpaRkZGijBOrRaTkjAkpPGVGTNMdbch07Rnzx4AmDBhAiJqNBpW6PMmW2ySkkhxj4rCdetQq8W//hUXLsTISFQo8PRp3LULHRwaphBduuDixW3dEZutNrKf/tTUVHFGi4h37uDIkQ0VbNVqHDoUO7bzKGmT/Px89imcbZY2efJkAIh96PY3CXQ47hUVGByMACiXN0T555/x1CnU7RpXU4Px8ejt3Th1Zif7qqqWG9ZqtSqVik1nX3rppUI2zxbRxo3o44Nr16K3N+7YIXLj5FHYbnDnz59HxA8++AAA3njjDak77Vjcf/0VhwxBALSzwz17HnHw5csYHs6WSmotLIa4uoaHh1//k2d7ysvL2Qd2ttoo1S3RxcWYloat28+RiGvu3LkA8P777yPihQsXAOCpp56SutMOxP3AAezSBQFw4MA27HBdXo6bNh0IDGSfO2Uyma+vb0JCQtPl88zMTFba19HR8ciRI+0fITFiX3zxBQD4+fkhYn19PVuBFWV/hxa0K+719bhqVcM2v6++iu2qrZ6enh4SEqK7ybZXr17h4eE5OTk7d+5kL44YMeLPzv3kMZCbmwsAnTt3Zmc6dnV5165dknba5rjn5+fvZVtRmZtjh9dJiouLP/jgAzaNAwDdDTAhISE14j7RSYzPtGnTli9fzvZCVKlUADBPt7InjbbFPTk52dnZGQAy/P3FfVAsOTlZqVQ6Ozv7+/vvoA+O/Dl37hwADBgwQNL9D9sQ9+joaHYjh4eHR15enhSjqXrUcg15XKWlpdna2nbu3NnBwUGpVEZHR0uRsVbF/f79++y+ZEEQQkND6wx6vZ08flJSUthH1aZFCuRy+ZgxY9auXZuRkSHWnvePjntWVtbgwYMBwN7efu/evaL0SohOUlKSvb09AAQFBdXV1WVnZ0dHR/v5+VlaWuqi3717d6VSGRsbe/fu3Y709Yi43717l/3ADRky5Ndff+1IT4T8UWJiIrsbNDg4WP3gwwaVlZXHjx8PDQ3t06dP01O+u7u7SqVKb9ce9Y8+u3/44YfBwcGP322oxOASEhLYKXz+/PktX0nUVZ9kz/Qw7ag+aZJPM5HHwK5du9hTOGFhYa2fmpeWlu7Zs2f27Nk9ejRuzmNtbe3r67u9FaWqKO7EALZs2cJKRoaHh7evhT9Wn5wyZcoj3yWgSe2LSR4DmzZtWrhwISKuWbPmHTGK3hcWFh45csTFxeXll19u+UiKO9GriIiIZcuWCYKwYcOGxYsX67l30969g5gWlnW5XL5ly5bXX39d/wOguBN9QMS33377o48+ksvl27dvnz17tkGGQXEnkkPExYsXR0VFWVhY7N69mz3JYBAUdyItjUYzd+7cHTt22NjYfP311xMmTDDgYCjuREJqtXrGjBn79u2ztbU9cODAI1dOpEYrM0RCAQEB+/fv79Kly5EjR0aPHm3o4Zh4fXdi5GbOnNm9e/djx44ZQ9aBzu5EahUVFXZ2doYeRQOKO+EITWYIRyjuhCMUd8IRijvhCMWdcITiTjhCcSccobgTjlDcCUco7oQjFHfCEYo74QjFnXCE4k44QnEnHKG4E45Q3AlHKO6EIxR3whGKO+EIxZ1whOJOOEJxJxyhuBOOUNwJRyjuhCMUd8IRijvhCMWdcITiTjhCcSccobgTjlDcCUco7oQjFHfCEYo74QjFnXCE4k44QnEnHKG4E45Q3AlHKO6EIxR3whGKO+EIxZ1whOJOOEJxJxyhuBOOUNwJRyjuhCMUd8IRijvhCMWdcITiTjhCcSccobgTjlDcCUco7oQjFHfCEYo74QjFnXCE4k44QnEnHKG4E45Q3AlHKO6EIxR3whGKO+EIxZ1whOJOOEJxJxyhuBOOUNwJRyjuhCMUd8KR/wdsLa2s72esZQAAAABJRU5ErkJggg==)
Find more compounds similar to Cyclohexanol, 2-(9h-6-chloropurin-9-yl)-, trans.
Sources
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- Crippen Method
- Crippen Method
- McGowan Method
- NIST Webbook
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