- InChI
- InChI=1S/C13H9NO/c14-10-11-6-8-13(9-7-11)15-12-4-2-1-3-5-12/h1-9H
- InChI Key
- UYHCIOZMFCLUDP-UHFFFAOYSA-N
- Formula
- C13H9NO
- SMILES
- N#Cc1ccc(Oc2ccccc2)cc1
- Molecular Weight1
- 195.22
- CAS
- 3096-81-9
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion 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 | 0.5325 | Relay (1.0) Calculated Property | |
| ΔfG° | 301.95 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 184.13 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.81 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.94 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.59 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.02 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.351 | Crippen Calculated Property | |
| McVol | 153.760 | ml/mol | McGowan Calculated Property |
| Pc | 2887.40 | kPa | Joback Calculated Property |
| Tboil | 604.67 | K | Relay (1.0) Calculated Property |
| Tc | 867.68 | K | Relay (1.0) Calculated Property |
| Tfus | 330.41 | K | Relay (1.0) Calculated Property |
| Vc | 0.561 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [373.19; 434.49] | J/mol×K | [679.68; 934.70] | 
|
| Cp,gas | 373.19 | J/mol×K | 679.68 | Joback Calculated Property |
| Cp,gas | 385.96 | J/mol×K | 722.18 | Joback Calculated Property |
| Cp,gas | 397.65 | J/mol×K | 764.69 | Joback Calculated Property |
| Cp,gas | 408.30 | J/mol×K | 807.19 | Joback Calculated Property |
| Cp,gas | 417.95 | J/mol×K | 849.69 | Joback Calculated Property |
| Cp,gas | 426.67 | J/mol×K | 892.19 | Joback Calculated Property |
| Cp,gas | 434.49 | J/mol×K | 934.70 | Joback Calculated Property |
Similar Compounds
![1-(Chloromethyl)-4-[4-(chloromethyl)phenoxy]benzene.](data:image/png;base64,iVBORw0KGgoAAAANSUhEUgAAAPoAAAD6CAIAAAAHjs1qAAATG0lEQVR4nO3da3BTdf7H8W+a3luLhbRQEERgCpVW7iCggIIMAgoyW9YnQcZLFJWFsQ8y6+gUZHZtdRa746xrYXaVHZ9AkUvB6ljEP8bhYqfW0tIqtIBAS+mF3mhCm/b8/g9+GmJC0yRNcpJ+P69naXI4vyZvck5OT85PI4QgAB7C1B4AQOAgd2AEuQMjyB0YQe7ACHIHRpA7MILcgRHkDowgd2AEuQMjyB0YQe7ACHIHRpA7MILcgRHkDowgd2AEuQMjyB0YQe7ACHIHRpA7MILcgRHkDowgd2AEuQMjyB0YQe7ACHIHRpA7MILcgRHkDowgd2AEuQMjyB0YQe7ACHIHRpA7MILcgRHkDowgd2AEuQMjyB0YQe7ACHIHRpA7MILcgRHkDowgd2AEuQMjyB0YQe7ACHIHRpA7MILcgRHkDowgd2AEuQMjyB0YQe7ACHIHRpA7MILcgRHkDowgd2AEuQMjyB0YQe7ACHIHRpA7MILcgRHkDowgd2AEuQMjyB0YQe7ACHIHRpA7MILcgRHkDoyEqz0AsNPTQ2fO0OXL9MADNHcuRUaqPSBSFMVqtUZFRak9EN/Au3vQuHaNHnqIcnLo/Hn6299o2jSqq1NxOFarNTc3d8mSJVOmTNmwYcPFixdVHIzPCAgSf/qT2Lr1zs3XXxfr16s1lpKSkoyMDCLSaDRhYWFEFBkZuWnTpitXrqg1JJ9A7kFjxAhRVXXnZmWl0OkCPwqLxZKdnR0REUFEEyZMOH78eG1trcFg0Gq1MnqDwXD16tXAD8wnkHtwsFgEkWhru/OT1lZBJCyWQI7i1KlTaWlpRBQWFmYwGG7dumW7q6qqSq/Xh3r0yD1o3HuvuHDhzs1ffhGJiUII0dMTgJWbzWaj0ShrnjRp0okTJ+76MOfor127FoDh+Qr33C0WS1FR0f79+y9fvqzOCBRFnD8vhBArVoi///3Oz3fsEKtWiZ4eMXmy0OtFba3/hvD9999PnjyZiMLDw41G4+3bt10//ty5cyEaPevcT548mZaWptVqY2NjIyIi9Hp9TU1NQEdw+bJYvlwkJIgrV0RFhUhOFllZ4rPPxBtviJEjxblz4tgxERYmiERUlHj1VeHr/Yeuri6j0Sg/jKanp//www93fVh1dXVXV5fDD0Mxeqa5d3V1bd26Vb7MqampK1eutL1sr7zyyq+//ur3ESiK+Ogjcc89gkjodOL4cSGEaGgQu3aJN98Uu3aJGzd+e2RVldDrhVYriERkpDAYfBX9iRMnJk2aREQRERFGo7G7u/uuD+vr68vIyNDpdDk5OaEePcfcTSZTamqqw7b74sWLBoMhPDxcvvx6vb7Wf/sPFy+KpUsFkSASq1eLurqBF3GOfhBVtbe3GwwGjUZDRNOmTSstLXXx4OvXr8+bN08eth45cuTOnTudo6+srHSIvs6dXyrgeOVuv+3OyMgoKSlxeIDDQTffR68oIj9fxMcLIpGcLAoKPFu8slL8+c+/7d5ER4vNm3s9j/7LL78cO3as7U29x72PwsXFxbbok5KS7vpOL6OXT29UVFQQRs8odze33cIpep8ddKupEUuW/Pamnpkpmpq8/HfOnZPv9L1a7UOTJ7u//9Da2mowGGSyDz/8cJX9YX73FBcXz5071z56s9ns8JiKioqgjZ5F7m1tbe5vu218eKS5t7e345//FNHRgkiMHi0KC737d/6gouL/tmyRVcXExGzZsqW+vt7Fw48ePTpmzBj54JycnN7eXq/XXFxcPGfOnAGjz8zMlM+5jN718AJj6OdeVFQkt93R0dHZ2dn9bbt379793nvv2f9hRRr8kebKysq5c+e+mJ4utFqRmSlaWrz8Tfr5xwfcab5586btTX3hwoU///yzT1ZtH31ycvJdoy8rK1u7dq2M/sknn/TJegdjKOfu/rbbbDaPHDlSvmzvv/++c/TeHX/o6el55513IiMjiWjcuHFXv/lmsL9SP1zsNO/bty8pKYmIYmNjc3Jy+vr6fLtqd6L/8ccfp06dGhcXt23bNt+u3VNDNvcjR454tO02mUxLliyRL5tOp8vOzm5vb3d4jEfRl5eXz5o1S55lZTAYOjo6fPBbuVReXr5u3Tr5VhobG/vyyy+vXr1a/kaPPvroefnHLP8oLi6ePXu2i+jff/99IsrKyvLfGNwxBHO/ceOGXq/3btttMpkWL15si97F8QcX+w89PT05OTnyTf2BBx44duyYD34rt9k+KWo0Gq1Wm5CQkJ+fryiKv9erKMrBgwenT58un73Nmzfb37tr1y4ievHFF/09DNeGWu4+2Xa7f9DNOfqysrIZM2bY3tQ7Ozt98Ft5rqysLDo6mojOnTsXyPUqinLgwIFZs2Y5bEz27t1LRJmZmYEcjLOhk3tDQ8O6detko4sWLbpgf7qVV5wPujlH77D/MH/+fPkfIDU11WQyDXIAgyQ/oKt2LtAfffXVV0S0fPlydYcxRHLft2/fiBEjiMjn226PjjSPHTtWvqk7f9gNvPT0dCIqLy9XeyBCCHHq1CkimjdvnrrDCPnc6+vr16xZI3NcsWKFn75u487xhx07dhDRqlWr/DEALyxcuJCIvvvuO3mzsbFxz549hw4dUmUwVVVVRDRlyhRV1m4T2rlXVFQkJCQQ0fDhw/fs2ePXdSmKUlhYOHPmTBn96NGjd+/ebf+AgwcPEtHTTz/t12G4b+XKlUR05MgRefPMmTNENHv2bFUGU1dXR0QpKSmqrN0mtL+aXVBQEB0dvXTp0rNnz27YsMGv69JoNE899VRpaak86FZfX3/p0iX7BwwbNoyI2tvb/ToM9zmMR93hBcmTE9oX3vjiiy8aGxvfffddeYg9MJYtW7Z06dLCwsJHHnnE/udB8oraBFXucXFx4eHhZrPZarXKL8KqIrTf3dV6CTUazZo1a+SHY9UH05+gyp2I7rnnHiLq6OhQawCE3H0oqAZDTuOJiYmJjIzs7u7u7u4OhvGoYkjl3tDQMHPmTId9jAAPRp4soMoAHDjnJT/Wc959H1K5R0VFlZWVVVZWqjKYiIiImJiY3t5es9msygAcOOeFT6tDKveEhASNRtPZ2akoSjCMR13I3dlQyN326Uer1cbFxSmKcuvWLRXHg9zdHE/gDYXc8YreFZ4cZ8jdv+NRkcOmj9QeXjA8Ocjdv+NREZ4cZ8jdv+NRkfMHdzw5yN2/41FRWFhYfHy8/Qd3PDnI3b/jUVdQnUcQDE9OaOfu/GdCvKL2kLuD0M5dXrn39u3btvNAnA9HBFIwvKL2kLuD0M6dfn+Dt/WNV9Seirnv3bu3pKTExWBUEfK54w3MBYfx6HS66dOny5kL/Ed+R/7ZZ5/duHGj/dmXwfDkhPbXOwi5u+Tw2WbixIllZWV+XWNBQcGmTZtaWloSEhIMBoP9Nzni4+O1Wm1XV1d7e7t8ogIP7+5+HIzqAjme69evP/PMM+vXr29paVmxYkVFRcWW36/YSkT19fVr166VJzVNmjRp27Ztqny+Qu5+HIzqAjaegoKC9PT0Q4cO3Xvvvfn5+UVFRePGjZN3CSE+/vjjtLS0wsLC2NjYcePGNTc3b9++PTU1defOnYE+WVrdb4YPnvxG9ieffCJvysmdx48fH5i1O8zaJXdVw8PDA7P2AX344YdEtGDBAv9d9+bSpUtPPPGEbGnVqlUOF828ePHi0qVL5b2rV6+WF1pz5yJtfhLyuW/evJmI8vLy5M3m5mYiSpRTNPqTvL7N888/7/Bzeam6gL1+rtXV1W3cuJH6v8jrYCiKkp+fL7+BmpiYmJ+f73xvfHw8ESUnJztfFsWdi7T5XMjn/tZbbxHR9u3b5c3e3t5PP/308OHD/lujoii7du2S+wnDhw+/YZszTAghhLxw9vXr1/03AI8cO3Zs/vz5sqr+Lufthdra2scff1z+s5mZmY2Njfb31tTU2C6nnJmZ2dT/PCXuXKTNh0I+d3kl5TfeeCMwq7t06dKyZcv623bX1NQMGzYsIiLCr1eX9oI7VzZ2U19fn+1te+TIkfv373e+Ny4ujohGjRr1+eefu/NvujMdiE+EfO7ySsovvPCCv1fketvd19eXl5cXGxtLRDt27PD3YLwz+J3mCxcuLFq0qL+3bTlPie3e5uZmT4c34JUJB8mD3JusTU3WJiHEpe5L2+pVnobBRl5Jed26dX5dS21t7WOPPTb4bXcw8Dr63Nxc+cnkvvvuO3r0qP1dVqs1JycnKiqKiFJSUgazM+nX6N3KvaC1YFzFuPSq9Psr7l9+Yfk3Hd/MqJ7hqxEMRltb25o1a5KSkuLi4rKzs9va2ny+Cvuts/O222q15uXl2bbdBw4c8PkA/MSLneasrCz5/7nlj9NLnT17Vk7dodFo9Hr9zZs3fTI819OBeGfg3Kst1TFlMd92fCtvftby2YnOE8GQu20qOduf7nQ6XW5urg9nEHDYdjtsnQe57Q4GHkVvNpuPy9m9f2c/T8n48eOLi4t9PjyH6C0Wy2D+wYFzz23Ifab2GfuflHSVqJu78xxjJpPJtrPhk4NuDlvngwcP9nfv6NGj/XogKAC823/46aefAjNPSXFxsZzlSu5H5eXleR39wLm/8usrf637q/1PZO63ldsf3Pigsy/Qk7G4mGPMnenE3FFRUSFffrl1dth2O8wx5tuD2SpyP3qLxZKdnS03qhMmTHB4y/cHOQfOtGnT5PDGjh370UcfefHvDJx71rWsrVe32v9E5v6vxn9RKY0oH5Fdn93W6/udZmduzjE2mOgdts5ff/11f/cGfo6xwBhwp/nkyZNpaWlEFBYWFuB5SuwvsT9v3jwvpp0aOPf/NP9nRvUMRdyZ/kXmfqLzxMJfFlIpUSkllSflNuTe6vPjb+7pHGPeHWl+7rnn5Av52muvOWydg2SOscC4a/Rms9loNMrJp6ZOnXr69GlVxqYoyuuvv05Eer3e02UHzr2jt2NC5YRXr7xaZamquV3z76Z/n7l1xrbvbuo0PXb+MRm9rlyXXZ/d3uvjjftg5hjz9KBbdXX1gw8+6LB1tlgstpd54sSJ3377rXe/SGhxmDhy1KhRKSkpRBQeHv7mm286nCwUYF5PlOLWgcj6nvqsa1mPn3982fllb9W9ddZ8dvOVP8yaaeo0LTm/xB/R+2SOMY9Oz3BYxcmTJ6dMmaLKtjsYyP2HWbNmhYWFTZw4MSMjo6SkRO1BiePHjxPR4sWLPV3Ql39VNXWaFv+y2BZ9TkNOV5/3J/34fI4xT480O2y7z5w5M8gBhC5FUU6fPn358uWenh61xyKEEKWlpUQ0ffp0Txf0/UkERe1F836eJ6Nf9d6qnTt3evqXakVR9uzZk5iYSETy/GkfDs/N0zNMJlNqaqrcdhuNRnW33eCgpqZGHi3wdEF/nTPzRdsXj5Y/qkvWyd2+Dz74wM2/irk+B8tXXBx06+rqMhqN8ms4QbLtBgdNTU1ENHz4cE8X9O8pYh7tP7g+B8tPw3OIvrCwUH4NJyIiwmg0dnd3+3sM4IWenh7y6ms0gTgj0p3oXZ+D5T+Kohw+fFgeYZTPIBHNmTOnoqIiMAMA78TExJDnX6MJ3AnA/e0/uD4HKzAURTl06NCCBQt27NiRm5trtVoDPwbwyKhRo4iovr7eo6UCer67w8TTY8aMefvtt20zh4XoWVagCnm1nOrqao+WUufrHbY/2slNkvM5WACuyT0FT/+yq85llWwTTzc3N7e2tr700ktqXWcHQlTqf1Mbehs67vfsYjWqXUVMTjyt1toh1HXHdl9tu9pKrR4tFfKXVQKehmmHEVF7n2dXjELuEJKQOzCC3IER5A6MIHdgBLkDI7/lriB3YADv7sCId7mH/NxMwFNSeNJfkv8yOmK0vKmQIoTQarSul8K7O4SkSE3kgrgFZsX8jxv/uG69/r+W/238deOASyF3CD3tfe1zf5n7acunKREpTb1Ni88vtgqrOwtiZwZCz4dNHyZqE4smFWlIQ0TZKdl7W/e6syDe3SH0lJpL1yeul60TUUxYjJsLIncIPY3WRl24zosFkTuEnvsi76vrqfNiQeQOoWdR/KJPWj6xKBZPF8RHVQg9Bp3hy44vZ/488+lhT5sVc9XtKv1wvTsLaoQQ/h4cgD+Umcsqb1cmaBMeiXvErJibeptmxs50vQhyB0aw7w6MIHdgBLkDI8gdGEHuwAhyB0aQOzCC3IER5A6MIHdgBLkDI8gdGEHuwAhyB0aQOzCC3IER5A6MIHdgBLkDI8gdGEHuwAhyB0aQOzCC3IER5A6MIHdgBLkDI8gdGEHuwAhyB0aQOzCC3IER5A6MIHdgBLkDI8gdGEHuwAhyB0aQOzCC3IER5A6MIHdgBLkDI8gdGEHuwAhyB0aQOzCC3IER5A6MIHdgBLkDI8gdGEHuwAhyB0aQOzCC3IER5A6MIHdgBLkDI8gdGEHuwAhyB0aQOzCC3IER5A6MIHdgBLkDI8gdGEHuwAhyB0aQOzCC3IER5A6MIHdgBLkDI8gdGEHuwAhyB0aQOzCC3IER5A6M/D+cfbmIT7cpLgAAAABJRU5ErkJggg==)
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