- InChI
- InChI=1S/C9H7NO3/c11-7-1-2-8-3-5-9(6-4-8)10(12)13/h1-7H/b2-1+
- InChI Key
- ALGQVMMYDWQDEC-OWOJBTEDSA-N
- Formula
- C9H7NO3
- SMILES
- O=CC=Cc1ccc([N+](=O)[O-])cc1
- Molecular Weight1
- 177.16
- CAS
- 1734-79-8
- Other Names
-
- p-Nitrocinnamaldehyde
- 2-Propenal, 3-(4-nitrophenyl)-
- Cinnamaldehyde, p-nitro-
- 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 | 0.5491 | Relay (1.0) Calculated Property | |
| ΔfG° | 143.93 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -0.13 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 26.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.61 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.48 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.50 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.807 | Crippen Calculated Property | |
| McVol | 128.600 | ml/mol | McGowan Calculated Property |
| Pc | 3773.04 | kPa | Joback Calculated Property |
| Tboil | 565.25 | K | Relay (1.0) Calculated Property |
| Tc | 822.97 | K | Relay (1.0) Calculated Property |
| Tfus | 380.43 | K | Relay (1.0) Calculated Property |
| Vc | 0.437 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [302.05; 353.41] | J/mol×K | [641.64; 893.15] | 
|
| Cp,gas | 302.05 | J/mol×K | 641.64 | Joback Calculated Property |
| Cp,gas | 312.60 | J/mol×K | 683.56 | Joback Calculated Property |
| Cp,gas | 322.26 | J/mol×K | 725.48 | Joback Calculated Property |
| Cp,gas | 331.10 | J/mol×K | 767.40 | Joback Calculated Property |
| Cp,gas | 339.19 | J/mol×K | 809.32 | Joback Calculated Property |
| Cp,gas | 346.60 | J/mol×K | 851.23 | Joback Calculated Property |
| Cp,gas | 353.41 | J/mol×K | 893.15 | Joback Calculated Property |
Similar Compounds
![2-Propenal, 3-[4-(dimethylamino)phenyl]-.](data:image/png;base64,iVBORw0KGgoAAAANSUhEUgAAAPoAAAD6CAIAAAAHjs1qAAAV2klEQVR4nO3de1RU1R4H8N8AA4yEiCiKSGpqKj4wRgYTRPNa1gKjUDKvosssr2Vayk3Kx8LS66PVElqJhi6faSp3KYIaKr6SR4piomSCjyXq+MAHLwGFYfb943SnccABhnNmBvb3s/ynfeDsPfad42/O2XuPjDFGAHywsfQAAMwHcQeOIO7AEcQdOIK4A0cQd+AI4g4cQdyBI4g7cARxB44g7sARxB04grgDRxB34AjiDhxB3IEjiDtwBHEHjiDuwBHEHTiCuANHEHfgCOIOHEHcgSOIO3AEcQeOIO7AEcQdOIK4A0cQd+AI4g4cQdyBI4g7cARxB44g7sARxB04grgDRxB34AjiDhxB3IEjiDtwBHEHjiDuwBHEHTiCuANHEHfgCOIOHEHcgSOIO3AEcQeOIO7AEcQdOIK4A0cQd+AI4g4cQdyBI4g7cARxB44g7sARxB04grgDRxB34AjiDhxB3IEjiDtwBHEHjiDuwBHEHTiCuANHEHfgCOIOHEHcgSOIO3AEcQeOIO7AEcQdOIK4A0cQd+AI4g4cQdyBI4g7cARxB44g7sARxB04grgDRxB3U1RXV585c2b16tUlJSVardbSw4GGkjHGLD2G5uH27dvZ2dkZGRnp6elnz56trKwkIh8fn1dffXXNmjWWHh00iJ2lB2C9iouLs7KyTp06lZWVlZWVVVhYqDskk8n69OnTtWvXo0eP5uTkeHl5zZs3z4JDhQbC1f1vGo0mLy9Pdwm/dOmSfqHi4uLi5+cXEBCgVCqHDBni5uZGRMnJyWFhYVqtdt26dVOnTrXc2KFBeI+7UKIIEc/IyBBKFIFcLh8wYICQb6VS6e3tLZPJap8hPj5++vTptra2CQkJYWFhZhw7NBp3cS8rK8vJyRHyfeLEiXv37ukf9fDwCAwMFCLu5+fn4ODQkHNGR0d/8803CoXi0KFDgYGB0gwcRNDy425CiWKCmTNnrlq1ysXF5cSJEwMGDBBp7CCylhx3rVYbExOzcOFC/RLF0dHR19dXpVL5+/v7+/t369ZNlL5qamrGjRu3a9cuT0/PjIyMLl26iHJaEFdLjntkZOSePXuuXbtmWolSrwcPHrRr1073n5WVlaNGjUpLS/P29k5LS2vbtq0ovYCYWMslXLkPHTokxcljY2NdXV1zcnL0G4uLi318fIjI39//8ePHUvQLTdFi43769Gki8vT0rKmpEf3kNTU1oaGhROTl5XXz5k39Q2q1WqhkQkJCqqurRe8amqLFTiLYtWsXEb377rs2NuK/Rhsbm+3btw8dOvTmzZujRo169OiR7lCnTp1SU1Pd3d337dv3wQcfsJZbKzZLln6/SaVXr15EdPToUem6MFK6nDp1ysnJiYjmz58v3QCgsVpm3C9cuEBE7dq1k7qcMFK67Nu3z87OjohiY2MlHQM0XMuM+6JFi4joww8/1G/cv3//3bt3Re8rPz/f3d2diCIiIrRarf6hn376SSaT2djY7Ny5U/R+wQQtM+7Cg55ffvlF11JSUuLg4CCXyx89eiR6d7rSZcGCBQaHli1bRkT29vYS3SCCRmmBcb98+TIRubi4PH36VNe4bds2Iho2bJhEnRopXWbPnk1ErVu3Pnv2rES9QwO1wLgvX76ciCZOnKjfOGbMGCL6/vvvpetXV7okJCTot2u12kmTJhFR+/bt8/PzpRuAQaeXLl26d++eebprLlpg3FUqFRHt3r1b11JeXu7k5CSTyQoKCiTteunSpXWWLlVVVaNGjSKi7t27S/H5QVBcXJyamhodHR0SEiI87p0wYcLYsWM1Go1EPTY7LS3uN2/elMlkrVq10r8zKNyD9/f3N8MAnle6lJaWKpVKIho0aFBpaakofVVWVmZmZsbGxo4fP/6ll14yuMXcqVMnhUJBRDNmzBCluxagpcU9NjaWiMaOHavfOGHCBCJasWKFGQag1WojIiLqLF0KCwtffvllIhoxYsSTJ09MO79arU5ISJg1a1ZAQICjo6N+vp2cnAICAmbNmrV58+arV68yxn799VfhZxYvXizCa2v+6o97QkJCM7pzHBQUREQ///yzrqWqqsrV1ZWI8vLyzDMGI6XL1atXO3bsSETvv/9+A2c3FBcXp6WlLV++XFei6Nja2np7e0dERMTGxqalpel/NNdJSkqys7OTyWTr1q0T5+U1Z/XEPT8/X/jL2rZtm3kG1BR37961tbV1cHAoKSnRNe7fv5+IfHx8zDmS0tJSX19foXQpKyvTP5STk9OmTRsjNUZ1dXVubm58fHxERETtJVQeHh4hISHR0dHJyckNvKkaHx8vvDd27dolwmtrzuq/uq9atYqI5HJ5SkqKGQbUFD/++KPwgFO/UVhC+vXXX5t5MEZKl6NHjwqTkL/99luhpYElSm5urmmDiY6OJiKFQnHixImmvrDmrEG1+xdffEFErVq1yszMlHpATfHGG28Q0YYNG3QtGo2mffv2RGRyUJpCV7qMHz/eoHTZvn27jY2NTCZ75ZVXDGbG29ra9u/ff+rUqWvXrs3JyRHrvsrMmTOFxxHnzp0T5YTNUYPirtVqp0yZIsxCuXTpktRjMk1RUZG9vb2dnd39+/d1jUeOHCGinj17WmpUZ86ccXZ2JqI9e/YYHIqKitIF3YQSpV4GbzCNRjN27Fgi8vT0vH79uihdNDsNvTNTVVX11ltvEVG3bt1u374t6ZhMs2nTJiIaOXKkfuOMGTOI6KuvvrLUqBhjqampdd4UioqKIqLg4GCDGfOiuH79+sCBA9PS0vQbKysrhY/y3t7eDx8+FL1T69eIG5Hl5eVDhgwhov79+xcVFUk2JBO9/fbbRLR69Wpdi1ar7dy5MxGdOXPGggN7HmGK8vHjx6U4+ZdffklEbdu2NajiSkpKBg4cSEQqlYrD9VaNu+/+4MGD3r17E9Hw4cMrKyslGpMJysrKFAqFjY2NWq3WNWZkZBBRly5dDCYqWoOcnByScoqyRqMR5k3ULl3UanXXrl2Ff1h4W2/V6MdMN2/e9PLyIqLQ0FDreTq9Y8cOIgoMDNRvjIyMJKLZs2dbalRGCLdKpk2bJl0XRkqXy5cvC5OWJ06caIXXAumY8lRVd+d4wYKtog/INO+99x4RrVy5Ur9ReK6enp5uqVEZ0a9fPyI6cOCApL3oSpfa662ysrJeeOEFIpo3b56kY7AqJk4iOH78eFDQKgcHtmSJuOMxRWVlpXD349q1a7rG7OxsIurQoYMUS7ObKD8/n4jatGlT53NQcRkpXVJTU+3t7YkoJiZG6mFYCdPnzCQlMTs7JpMxiz+c3rNnj/D8Ur9x/vz5RPTxxx9balRGCGs+IiIizNOdkdJl69atMplMJpNt2bLFPIOxrCZNEYuPZ0TM1pZZ9uG0MJt86dKl+o19+vQhosOHD1tqVEYMGjSozjvx0tGVLrWXigvLA+zt7Q8ePGi28ejTaDTTp083z/rGps6IjI5mREyhYJZ6OF1VVSU8rPnzzz91jX/88QcRubm5WeGdB90U5fLycnP2u3//fmG9Ve3SZc6cOUTk7OycnZ1tziEJN/cSEhKIyMHB4ciRI1L3KMIE4JkzGRFzcWEWeTh94MABIurXr59+4+LFi4loypQpFhhQfWJiYogoPDzc/F0LpUvtpeL6660knTf6+PHjtLS02NhYYfZbWFiY0C4sEjDD+02EuGs0bMwYRsQ8PZn5H05PmzaNiKKjo/Ubb9y4ERMTk5GRYe7RNICwI/aOHTss0vvzShf9Sct37twRqzuNRnPhwoX169dPmzbNx8fH1tZWf3aQt7e38GNme7+Js7yjspIFBTEi5u3NzPlwuqamRpiDZbBXo9Wqc4qymT3vUlpeXj548GAiGjBgQHFxscnnv337dnJysrCG0GD2m52dnTBBf9GiRZs2bdK/aWae9Y2irWYqKWEDBzIi5u/PpH44rVark5OTo6KifH19HR0d27dvL21/4hG+tGz06NEWHIORS+n9+/eFqQ2vvfZaw9dbGZQo9Czd7LfU1NSKigrG2OXLl9u2bdu6devff/9d/zy69Y1KpVKs9Y0GxFy8p1azrl0ZEQsOZuJ+RCwtLRX+QsPDw4V7ajrCHffvvvtOzP4kM3LkSCLatGmTZYfR9PVWV69e3bx5szBBX7h5r/9/RJign5CQUOd12sjWDKa93xpO5LWqf/7J3NzYyJFNvcBXVdWcPn161apVkyZN6t27t8GKng4dOowePXrJkiWpqanr168XJo5v3LhRnNcgmaKiIrlcLpfLrWE2opFL6fnz54Wn5p988omu8c6dO/WWKPHx8bm5uQ15rifu+saGE39p9sWL7OlTtn07UypZVtbf7Z9/ztasMfaLajVLTmZRUSwggDk7a4R9uQRyuVypVOpW9Bg8K4mLixN+Rn/bMCu0ceNGInr99dctPZC/FBYWCpfS2uutjh07Jqy3Cg4ODg8Pf/HFFw1KlK5du44bN27lypXp6elCidJYRrZmqPP9JgqpdiKIjWW2tszXl+lmkYWEsIULn/mZoiJ28CBbvJiFhDB3d0b09x+ZjAUHT548eXJcXFx2dnZVVZXx7ubOnUtWv95q9OjRRLTG+JvevK5cudKhQwcimjVrlsGhxMREhUKhWwxeb4liAiPrGw8fPuzg4BD5yivVopapEsZ9yBDWuzfTbWIgxD0vj8XFsUmTWO/eTCZ7JuLu7mz0aLZ4MTt0iDX2xoD1r7cqKytzdHS0sbGxtsUx58+f9/X1vXz5cu1DarV67dq1GzduvHjxokRTj4yULqcSE5lCwWQyJt5HHQnjHhTEDh1izs5MWKwjxH3x4r/zLZczpZLNmsU2b2a5uayJE1E1Gs0777xDRF5eXjdu3BDlVYho+/btRDR06FBLD6QOlp0DbKx0Wb36r2kqiYmi9CVt3BljoaFszBjG/h/3zEw2eTKLi2NnzrD6KpRGq6ioENZb9evXT4qdfpsiPDyceJp72Ci1t2b427x5f01TEeOhoeRxv36dtWrFDh6so3aXgm691bBhw6xnvZUwRVkmk3G7JrpeO3bssLGxUcjltwzmimm1bOpURsTc3NjFi03sRfK4M8aWLmXe3uzNN80Rd2aV660SExOJyM/Pz9IDsWprfvjhrkrF5HJmcIdNo2HvvsuIWOfOrGllqjm+iiwykrRaOnbMDF0REXXu3DklJcXV1TUpKUnYicDidu/eTURhYWGWHohVm/7ppx3+8Q+qrqaxYykz8+8Dtra0bRsFBtKtW/TWW1RUZHofTXo/Pp/+1Z0xdvw4k8nMdHUX/Pbbb61atSLz7gZa53xj3SaV1nnLyLroly56M7oZY6y4mA0YwIjY4MHM1LnTUsU9P58dO/ZMyy+/MDPv5JWcnCzM8P7hhx8k6kKj0eTm5gqP05VK5YgRI2r/TEpKChH1799fojG0NEZKl1u32IsvMiL29tumTVORcMPrd95hS5aY/D4UhxS7gRYUFOzcuTMyMjIwMFD4B0SnXbt2tW/qffTRR1RrijIYU1HBAgIYEevXjxncYcvNZa6uzNmZXbhgwomlivu5c4yIdejALP5Zsem7gZaVlelm/AnLnPV5eHiEh4cLW07Xvhek0WiEOW3nz59v8kvhyYMHrE8fRsSCgpjB32p6OjN1nyyp4r5wISNi//qXRKdvnMbuBmpQohh877aLi0tAQEBUVFRycrL+fpR1OnbsGBH16NFDjNfBmSaXLrVJFfe+fRkRs9BiX0M1NTXCbqCdOnUycuc7JycnMjJy6NChBiWKg4PD4MGDP/vss23btl25cqVRXQvvtKioqCa/CC7l5rK2bRkRE2n/KUninpfHiFibNkz6bVQa6unTp8Jc8549ez7v++iEr3BqSIlSr8LCwr179y5cuLB169ZEdPLkySa/Al6dOMEUCkb0zMyZ6mq2fj0LDWVBQey99xq+E4Ykcf/PfxgRmzxZinObrt7dQO/evbto0aKUlBQT5qNXVVXV+ZUb9vb2GzZs4GpjOvElJrLx45luyqRWy8LCmIcH+/57tncvW7KEvfAC+/e/G3ImSeKuVDIilpQkxbmbRMTdQIUvLt2yZcuMGTP8/Pzkcrl+/ePs7Dx8+PCoqKjdu3dLsSqHa7t2Mbmc6VeVhw8zmawhO2HIGGONfDBVj+vX6aWXyMmJCgtJoRD33CK4cuVKQEBAYWHhxIkTt2zZYrBOyriSkpLTp0+np6dnZ2efPHnywYMHukO2tra9evVS/p+/v7/BGwBE8+mnVFBAe/c+09inD/3zn7RwofFftRN9MLt3E2MUHGyNWSeiHj167Nu3b8SIEVu3bvXy8hK++Pd5qqur8/PzMzIyhIgLOzfpjnp4eOjyHRgYKDw6BcldvUovv2zY2L07FRTU+6vix134vDdmjOgnFo2fn19iYmJwcPCyZcvc3d0///xz/aO3b9/W5Ts7O/vJkye6Q05OTgMHDtTlu/Y394I5aDT09Klh49OnZFd/mEWO+927dPIkOTrSm2+Ke2KRjRw5csOGDREREXPmzFEoFH379hUifurUqfv37+t+TPjiUt0lXKVSGay6Bwvo1YsuXHimpaaGLl2ikJD6f1fcTxFxcYyIhYaKe1aprFixgoiEe4U6UnwrGIgpM5PJZEz/S37WrWOOjuzWrXp/VeSr+2+/5drYeIeFmWNecdPNnTvXzc0tLy8vKytLpVINHjxYpVIJX+cE1uvVV2nBAho1iiZNop496dw5+u9/ad068vSs91fFvDPz8OHDjh07duzoef58vqsr/tEHKWVlUXIy3b9PXl4UHk69ejXkl8S8uiclJWk0mr59eyPrIDmVilSqxv6SmFWH8BB+jDXflAG+iVbMlJWVubu7V1VVqdVqYecQAGsj2tV97969T548GTp0KLIOVku0uKOSAesnTjFTUVHh7u5eUVFRUFAgbHoBYIXEubofOHCgvLxcpVIh62DNxIk7KhloFkQoZqqrq93d3YuLi69cudK9e3dRhgUgBRGu7qmpqcXFxT4+Psg6WDkR4o5KBpoLESYRhIaGlpaWYgNEsH7iL94DsFrNY6YugCgQd+AI4g4cQdyBI4g7cARxB44g7sARxB04grgDRxB34AjiDhxB3IEjiDtwBHEHjiDuwBHEHTiCuANHEHfgCOIOHEHcgSOIO3AEcQeOIO7AEcQdOIK4A0cQd+AI4g4cQdyBI4g7cARxB44g7sARxB04grgDRxB34AjiDhxB3IEjiDtwBHEHjiDuwBHEHTiCuANHEHfgCOIOHEHcgSOIO3AEcQeOIO7AEcQdOIK4A0cQd+AI4g4cQdyBI4g7cARxB44g7sARxB04grgDRxB34AjiDhxB3IEjiDtwBHEHjiDuwBHEHTiCuANHEHfgCOIOHEHcgSOIO3AEcQeOIO7AEcQdOIK4A0cQd+AI4g4cQdyBI4g7cARxB44g7sARxB04grgDRxB34AjiDhxB3IEjiDtwBHEHjvwP2S6uHQ19fE8AAAAASUVORK5CYII=)
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