- InChI
- InChI=1S/C14H11NO2/c1-2-4-12(5-3-1)15-9-11-6-7-13-14(8-11)17-10-16-13/h1-9H,10H2
- InChI Key
- OCPBTGFXVLONGM-UHFFFAOYSA-N
- Formula
- C14H11NO2
- SMILES
- C(=Nc1ccccc1)c1ccc2c(c1)OCO2
- Molecular Weight1
- 225.24
- CAS
- 27738-39-2
- Other Names
-
- N-Piperonylideneaniline
- 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 | 0.5974 | Relay (... Calculated Property | |
| ΔfG° | 129.35 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | 32.33 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 85.71 | kJ/mol | Relay (... Calculated Property |
| IE | 7.63 | eV | Relay (... Calculated Property |
| log10WS | -3.88 | Relay (... Calculated Property | |
| logPoct/wat | 3.166 | Crippen Calculated Property | |
| McVol | 167.160 | ml/mol | McGowan Calculated Property |
| Pc | 2799.47 | kPa | Joback Calculated Property |
| Tboil | 633.05 | K | Relay (... Calculated Property |
| Tc | 905.36 | K | Relay (... Calculated Property |
| Tfus | 379.70 | K | Relay (... Calculated Property |
| Vc | 0.632 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
![Phenol, 4-[[(4-methoxyphenyl)methylene]amino]-.](data:image/png;base64,iVBORw0KGgoAAAANSUhEUgAAAPoAAAD6CAIAAAAHjs1qAAAWNklEQVR4nO3dfVRUZR4H8N+8AIKiIr4gVr6kaTOGIO6aQkFnjdbSzNX02IpGK76hoGtum+6KnNNxaU3FrDWSo8tma2smSq6KWL7gRiIchQQJfBdIUksZA3mZ+e0fj3udBkRg7gywz/dz+sN7Ge59Jr8+c+/z/J47GmYmADloW7sBAM6DuINEEHeQCOIOEkHcQSKIO0gEcQeJIO4gEcQdJIK4g0QQd5AI4g4SQdxBIog7SARxB4kg7iARxB0kgriDRBB3kAjiDhJB3EEiiDtIBHEHiSDuIBHEHSSCuINEEHeQCOIOEkHcQSKIO0gEcQeJIO4gEcQdJIK4g0QQd5AI4g4SQdxBIog7SARxB4kg7iARxB0kgriDRBB3kAjiDhJB3EEiiDtIBHEHiSDuIBHEHSSCuINEEHeQCOIOEkHcQSKIO0gEcQeJIO4gEcQdJIK4g0QQd5AI4g4SQdxBIog7SARxB4kg7iARxB0kgriDRBB3kAjiDhJB3EEiiDtIBHEHiSDuIBHEHSSCuINEEHeQCOIOEkHcQSKIO0gEcQeJIO4gEcQdJIK4g0QQd5AI4g4SQdxBIog7SARxB4kg7iARxB0kgriDRBB3kAjiDhJB3EEiiDtIBHEHiSDuIBHEHSSCuINEEHeQCOIOEtG3dgOcoaKiori4OD8/PycnJycnx9/ff8SIEa+++mprtwucTcPMrd0G9ZWVlYlkFxQU5Ofnnzlzxvptenp6mkym9evXR0dHt2Ij26PS0tK8vLy8vLzc3Fyz2RwREfHss8/qdLrWbldT/T/E3abzPnXq1E8//WT9AhcXl0GDBgUGBhqNRoPBUF5ePnv2bK1Wm5KSMn78+NZqdttXW1tbVFSk9BrZ2dlXr15VfqrX6+vq6hYvXrx27dpWbGSztMu423TehYWFFovF+gW9e/cWyQ4MDAwMDBwyZIhNDxQXF7dy5UpPT8+MjIxhw4Y5t/ltV1lZmei5RRdeWFhYV1dn/YJu3boNGzbMz8/Pz8+PmaOioqqrq99///358+e3VpubpT3FnZl/85vfpKen23Te7u7uRqNR+WsYNmyYl5fXAw81Y8aMrVu39unT5/jx43369HFkw9so0XmLLiMnJ8em8yYinU7Xt29f0WuI7sNgMGg0GuUFycnJr776ql6v37t377PPPuv0d9B83E5YLBaj0fjQQw8RUe/evceMGRMdHZ2cnJydnV1dXd2CA1ZXV4eEhBBRYGDgTz/9pHqD27I1a9YMHTrUxcXFJgxeXl6hoaHR0dFJSUknTpyorKx84KGWLVtGRJ07d/7mm2+c0HI7tZu4HzlyhIh8fX1v3Lhhz3H27NmTmJgo/nz9+vWBAwcS0aRJk8xmsxrNbAeioqICAgJEvnv37j1u3LjY2Njt27efPn3aYrE08ovXr1//4osv1q1b9+OPPyo7LRbLtGnTiKhfv37l5eUOb7192k3cZ8+eTUTLli2z5yBFRUV6vV6n0+3du1fsOXPmTNeuXYlo+fLlajSzrbt9+3anTp00Gs3u3bsb77xra2vPnTuXmpoaGxs7bty4AQMGKJcxX3zxhfUrKysrn3zySSIaPXp0VVWVg9+BXdpH3Kurq729vYnI/k/MFStWEJGnp2dubq7Yc+jQIVdXVyL68MMP7W5pW7d161YiCg4Orv8jpfOOiIgYPny4m5ubzaVOp06dRo0aNWfOnFOnTtn87nfffffII48Q0ZQpUxr/iGhd7SPuO3fuJKKAgACxWVdX1+JDWSyW3/72t0TUt2/fq1evip1JSUlE5OLi8uWXX6rQ3DZs7NixRLRx40ZlT15e3tixY+vfrGs0mgEDBrz00ksrVqzYsWPH2bNnG7/ey8/P79KlCxHFxcU5/n20UPuI+6RJk4jonXfeEZuRkZHBwcHHjx9v2dGqqqpGjx5NRCNGjFBuUhcvXkxE3bp1KyoqUqfRbU95ebler3dxcbl27Zqy89tvvxX5dnV1NRgM4eHhCQkJ6enp1q9pon379un1eo1Gs3XrVlUbrpp2EPdbt265u7trtdqSkhJmrqqqElfbp0+fbvExr127Jm5SJ0+eLDots9k8YcIEInr00Udb8DfdLqxfv56IJkyYYL3TbDY3pfNu1ik6dOjwn//8x/6jqa4dxF1caYwZM0Zs7tixQ3TMdh62oKBA/LP505/+JPaYTCZ/f38ievrpp1s2uNnG/fKXvySi7du3O/QsUVFRRNS9e/fi4mKVD11UxNu2cVoa377NzJyVxcpY0NWrfOLEAw/w4Ljv2rVr06ZNdrXSPs888wwRbdmyRWxOnDiRiNatW2f/kdPS0sSH7z/+8Q+xp7S0VAztR0RE2H98a7W1teoesLmKi4s1Gk3nzp2bMppuj7q6unHjxhHR448/bj1kaa/33+fRo3nDBl62jP38uKSEX3mFDxy4+9P9+3n69Ace4wFxLygo0Ol0er0+LS3N/ga3QElJiU6n69Chw82bN5n5hx9+cHNzUy5s7Ldp0yabm9ScnJyOHTsS0V//+tcWH7a2tvb06dPbt29XRvEWL168YcMGVdrcMrGxsY74Z9ygiooKPz8/IgoLC1Pn3/mNG9yvHyuzgRs38ty56sedrabN8vLyWt7clnr77beJaOrUqWIzMTGRiJ577jkVTxETE0NE3t7eyk3qZ599ptVqtVrtzp07m3iQ8vLy9PT01atXh4eHDxs2TIxsWvPw8CCizZs3q9jyZnnssceI6ODBg8453cWLF3v16kVEs2bNsutAJhMXFfGRI/zii/d2nj3LgYH8yis8ezavXs2rV3NkpDpxb91pM9FJpKamis2nn36aiJRrD1WYzeYXX3yRiAYPHvzDDz+InfHx8UTk7u7e4PhP/c6b6rGZsFTGOp0WOGuZmZliTtqeMdzmOnHihPhHnpCQ0IxfKy3l1FSOj+fwcDYYWKvlQYP4yy/Z+g773Dn29+dXXuG4ON61i3ft4thYdeLOVtNmv/jFL5xZXpKfny8GB8WN46VLl7RarYeHR0VFhbonMplMoi7S+iZ1zpw5IrWXL1/+8ccfMzIyEhISZs+eHRQU5O7ubhNuT0/PwMBAMYqXkZFhMpnqn2XJkiXi7Xz77bfqtv+BFixYQESvv/66k8+7fft2jUaj1Wp3797d4AtMJtNXX32VlJjI8+ZxUBB37sxEP/vP1ZUDA7m0lPv3Z2X84KOPOCLCIRczwnfffde3b18ievnll502bfbGG28Q0bx588TmqlWriGjatGmOONfly5d79+5NRHPmzBF7ampqxF2yuJS3ptVqBw4cOGnSpLi4uJSUlPPnzzflFGaz+aWXXiKiAQMGfP/99454Fw2qra0V1xUnT5502kkVcXFxRNSpUycxF1taWpqamhofHx8eHm4wGLTau8tH63x97+bby4uDgjg6mpOTOTublaqEFSt4wgT+/HP+8EM2GLi42IFxZ6tps5UrVzb3PbeAxWLp168fER07dkzsGTp0KBHt2bPHQWfMycnp1avX559/ruwpLi52cXHp0qVLUzrv+7FYLOnp6eLPlZWVYjTwqaeeunPnjspv4D727NkjxkmcczobFotl+vTpRNS1a9fOnTvbdByurq4BAQEzZ868unEjp6dz473AoUO8ahUnJrKYDk9L48uX7/7o0qV70b+/5o277927V6fTJQUHWz7+uFm/2AKHDh0ior59+4oPk5MnTxJRjx49ampqHHdSm0G6v/3tb2LI354PtBkzZhDR3//+d7FZVlb28MMPE9HMmTPtaWrTiVuvVatWOed09d25c6d79+6+vr5E5OXlFRQUpBRvO7mkrNnTTGc2b2Yi7tCBHTxtNmvWLLKaA3r99deJaMGCBQ49qY2goCAisnNKXLlJVQoJxVinp2efd9+9qkYzG6OUQF64cMHR51KUl5dbfwAWFBQQUZcuXa5cueK0NjSoRbOqCxYwEXt7s+rTZv9z584d60oBs9ksZn8yMzMddMb6Ll68qNFoOnbs2KxLlwYpBTnKTWpq6v7Bg6u0Wv70U7sb2qjk5GRxC+7Y0/zc/PnzPTw8Pv7fJcCbb75pfVPUiloU97o6Hj+eifjxx1nFaTMrolIgMDBQbB48eJCIHn30UWcWl7711ltENL0JN0AP1GBBzurVTMTu7vz11/af4b7CwsKISFnR4gQ1NTXdu3cnIlFibbFY+vfvT0RHjx51Whvup6U1MxUV7OfHRBwWxg6YHheVAmvXrhWbERERRBQbG6v6iRphNBqJaN++faocTSnIee21bcrdx9y5TMQ+PnzpkionsSVKIF1dXa9fv+6QEzQkNTWViAwGg9g8evQoET3yyCNtYb2YHSViFy9yr15MxL/7nXrtYW6oUiA0NJSInDlcnZ2dTUQ9e/ZUsdblypUr48cf0Gju/Q+rqeExY5iIjUa+eVOt89yzbt06Ipo4caL6h76/qVOnElF8fLzYFNMXb775pjPbcD/2VUSeOMEeHkzEahRsCbW1tWKkNiwszHr/uXPn1DpFU4ir7ZiYGHUPm5PDHTsyESv1OLdusdHIRDx2LKs+4zlixAgi2rFjh8rHvb+KigoPDw/lzljFZWiqsLsA+JNPWKPhP/yhxQe4efNmRkZGYmJidHR0UFCQmHb29vZuxTsbs9ksVvdkZWWpfvDPPmOtlrVaVupxzp/nHj2YiBctUvNEubm5RGRTAmmxWBw69rdlyxYiCg0NFZspKSlktQyt1alR767M1RUUcHIy797NjUzy19Zyfj5/8snmVauef/55Md5iTaPR+Pj4EJGbm1tGRoYKzWu+AwcOENHAgQMddGccH3/3JlWpxzl6lN3cWK9nO5ascGlpaXp6ekJCgjJh6e3tPXLkSOUF1dXVM2bMeO655xxXjTxmzBgiUirGJ0+eTFbL0Fqdess7EhI4JIQ3beKVK3no0Hs3XzdvckYGJyZydDQHBd29+CFaEhKizKvVXzO2cOFC0cerv0SgCWbOnEkOXnP52mtM9LMiv48/5n37uLCQCwru7rl6lRtZSFhZySdOcHJyysKFC0NCQsS4rTW9Xi+q+ZX1HJcuXerZsycRRUVFOeJNlZWV6XQ6Nzc3UeauLENr9eF2hUpxv3aN+/Vj5UMzKYlnzeJPPuGHHrKt+CHi/v15woST77zz6aefFhcXN3jDXldXJ57eOGTIEKVK0TkqKytFrYRD74yrqzkujuuX28XEcM+eLB6ls20bL1ly70elpZyezgkJdysFdTom4qCg6Uq+u3btKiYsExMTMzIyKisr16xZQ0QdOnRQ5iuysrLE5eK7776r+psSp5s0aZLYFPNrv/rVr1Q/UYupFPfDh23rMwMC+N//vlvRZjBweDgnJHB6Ojd5GWhFRYWoUgwJCXHmUrpt27YR0ahRo5x2RmsxMTxlCosScRH3v/yFQ0LYy8u203Bx4aFDeenSf7/99tv79+8vKytr8IDz5s0jIh8fn4sXL4o9okpRp9MpZdVqGT58OBEpiwREgV0rlvjXp1LcDx362Qfz+fPs788mExcXsx2jrSUlJeKW8Xdqj3U2Qiw8e++995x2RmsxMZySwsHBfOzY3bhPnXo331273q0UTEzkjAxu4hK82tpa8fRGg8Fw83+DnWJlk/XDdux35swZURIjSt9KS0utl6G1ESrF/fvvuV8/Vkr8kpPVGozPzs4WH75r1qxR5YCNu3Hjhqurq16vVx5B42QxMbxrF586xQEBvHUrL1nCX33F+/dzaWnLj3nr1i1RTPrrX/9a3KQqVYp9+vRRaxnk8uXLiSgyMlJsimVoU6ZMUeXgalHvVvWtt/j553nnTt6wgY1GVm+YfMeOHWIp3a5du9Q65v289957RPTCCy84+kT3I+Iu/hAa+rNrd3tcuHBB3KQuXLhQ7FH3ibBKpcDhw4fFHrEM7X6rOlqLqg/eyMzktWt5yxZWe8palK94eHg4YiDc2qhRo4jon//8p0PP0ggl7hUV7OurWtyZ+dixY+I5eMoKcRWfCJuRkWFdKWCzDK3taAfPmREiIyOJyNfXV5VRLZPJlJmZabMO9ezZs6IE8rZ4jElrOHjw3uDj0aP882eP2utf//qXuElVlrAoD9ux84mwc+fOJaI//vGPYtNmGVrb0W7iriylGz58eAvi2OCasbFjx1q/RhQvzJgxQ71Wtzn1nwh74MABvV5P9j0RNjY21sfHR1QK1F+G1na0m7gz840bNwYNGiSurRtfUS8678TExPnz5wcHBze4Zszf3//3v/+99W8NHjyYiFrriTrO4bgnwip/I4cPHyarZWhtSnuKOzMXFhaKL6L5Q0NVOhs2bJg8efLAgQOVBb8KHx+fsLCwpUuXfvTRR7m5ufVXAGZlZZHaJZBtU1VVlbhFsX4i7KJFi0ilJ8KKy862+bz8dhZ3Zj5y5Ih4aNEHH3xg8yPla/T0er3BYHj55ZdjY2NTU1PvNwWjKCkpERX2ixcvdljD2xDrJ8KKPliZxn7Rev6k+aqrq7t160b2PbDWcdpf3Jl58+bN1NAjivbv33+/zttaTU3N6dOnk5OT33jjjXHjxomHUhDRyJEjs7OzHdz2tkK5Sf3zn/8s9phMpqioKHtKNsxmsxjJVZahtTXtMu7MvHTpUvHhW1hY+MAXl5aW7tu3Lz4+ftq0aUajUdyZWevWrdszzzzTKuVoraj+E2Gb69atW9nZ2cnJyaJ4u1OnTkQ0ePBg58wJtkB7+qJJaxaLZfLkySkpKQMGDPj666979Oih/Mj+70+UR1JSUmRkpIuLS1pamhj4aoTFYjl37pzyrat5eXkXLlywec3DDz+ckJAwceLEtvn/s73GnYiqqqpCQ0OzsrKefPLJ5cuXFxQUiL+J+l9+6+XlZf2tq0ajsf5T76S1aNGi9evXe3t7Z2ZmioEvhc3Xkefm5t6+fdv6BTZfRz5y5Egxd9tmteO4E1FZWdnIkSMrKioqKiqUnei8m8VisUycODE1NXXIkCE7d+48e/ZsE7+O3Gg0PvHEE/WfddyWte+4E5H4SF23bp3ovP39/dF5N5fJZHrqqae++eYbm3C3u877gdp93EEVV65cOX78+JIlS5544glxyefn5/fYY4/pdLrWbpqaEHeQiO3sI8D/McQdJIK4g0QQd5AI4g4SQdxBIog7SARxB4kg7iARxB0kgriDRBB3kAjiDhJB3EEiiDtIBHEHiSDuIBHEHSSCuINEEHeQCOIOEkHcQSKIO0gEcQeJIO4gEcQdJIK4g0QQd5AI4g4SQdxBIog7SARxB4kg7iARxB0kgriDRBB3kAjiDhJB3EEiiDtIBHEHiSDuIBHEHSSCuINEEHeQCOIOEkHcQSKIO0gEcQeJIO4gEcQdJIK4g0QQd5AI4g4SQdxBIog7SARxB4kg7iARxB0kgriDRBB3kAjiDhJB3EEiiDtIBHEHiSDuIBHEHSSCuINEEHeQCOIOEkHcQSKIO0gEcQeJIO4gEcQdJIK4g0QQd5AI4g4SQdxBIog7SARxB4kg7iARxB0kgriDRBB3kAjiDhJB3EEiiDtIBHEHiSDuIBHEHSSCuINEEHeQCOIOEkHcQSKIO0gEcQeJIO4gEcQdJIK4g0QQd5DIfwGUj6mnuKF7qQAAAABJRU5ErkJggg==)
Find more compounds similar to 3,4-Methylenedioxybenzylidene aniline.
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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