- InChI
- InChI=1S/C9H10S/c1-2-8-10-9-6-4-3-5-7-9/h2-7H,1,8H2
- InChI Key
- QGNRLAFFKKBSIM-UHFFFAOYSA-N
- Formula
- C9H10S
- SMILES
- C=CCSc1ccccc1
- Molecular Weight1
- 150.24
- CAS
- 5296-64-0
- Other Names
-
- (Allylthio)benzene
- Benzene, (2-propenylthio)-
- 3-(Phenylthio)propene
- 3-(Phenylthio)prop-1-ene
- Sulfide, allyl phenyl
- Allyl phenyl thioether
- Phenyl allyl thioether
- Phenyl allyl sulfide
- 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 |
|---|---|---|---|
| ΔfG° | 258.27 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 174.74 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 15.96 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 44.05 | kJ/mol | Joback Calculated Property |
| IE | 7.91 ± 0.01 | eV | NIST |
| log10WS | -2.91 | Crippen Calculated Property | |
| logPoct/wat | 2.965 | Crippen Calculated Property | |
| McVol | 125.960 | ml/mol | McGowan Calculated Property |
| Pc | 3493.01 | kPa | Joback Calculated Property |
| Tboil | 497.46 | K | Joback Calculated Property |
| Tc | 733.42 | K | Joback Calculated Property |
| Tfus | 250.25 | K | Joback Calculated Property |
| Vc | 0.467 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [247.62; 316.46] | J/mol×K | [497.46; 733.42] | 
|
| Cp,gas | 247.62 | J/mol×K | 497.46 | Joback Calculated Property |
| Cp,gas | 261.28 | J/mol×K | 536.79 | Joback Calculated Property |
| Cp,gas | 274.02 | J/mol×K | 576.11 | Joback Calculated Property |
| Cp,gas | 285.86 | J/mol×K | 615.44 | Joback Calculated Property |
| Cp,gas | 296.85 | J/mol×K | 654.77 | Joback Calculated Property |
| Cp,gas | 307.04 | J/mol×K | 694.09 | Joback Calculated Property |
| Cp,gas | 316.46 | J/mol×K | 733.42 | Joback Calculated Property |
Similar Compounds
![Benzene, [(2-methylpropyl)thio]-.](data:image/png;base64,iVBORw0KGgoAAAANSUhEUgAAAPoAAAD6CAIAAAAHjs1qAAAYBElEQVR4nO3dfVBTV/4/8E8gQYEgKARFfAIV1qeqsCIzCVFbUMuiVm2/23aKrV3XurWdaf25i+3ulp12WnXYWm2347LWtk5bde3qKKKCoGISapFQ14KPPLQ8ybNCEiKEkPP747RZykNIyL03hPN5zf6xzUnu/YBvLodz7j1HRAgBhNjg4eoCEBIOxh0xBOOOGIJxRwzBuCOGYNwRQzDuiCEYd8QQjDtiCMYdMQTjjhiCcUcMwbgjhmDcEUMw7oghGHfEEIw7YgjGHTEE444YgnFHDMG4I4Zg3BFDMO6IIRh3xBCMO2IIxh0xBOOOGIJxRwzBuCOGYNwRQzDuiCEYd8QQjDtiCMYdMQTjjhiCcUcMwbgjhmDcEUMw7oghGHfEEIw7YgjGHTEE444YgnFHDMG4I4Zg3BFDMO6IIRh3xBCMO2IIxh0xBOOOGIJxRwzBuCOGYNwRQzDuiCEYd8QQjDtiCMYdMQTjjhiCcUcMwbgjhmDcEUMw7oghGHfEEIw7YgjGHTEE444YgnFHDMG4I4Zg3BFDMO6IIRh3xBCMO2IIxh0xBOOOGIJxRwzBuCOGYNwRQzDuiCEYd8QQjDtiCMYdCef+/ftFRUWEEFcVIHbViREj6uvrCwsL8/Pzc3Nzr127JpPJpk6dmpaWplQqhS9G5MIfNTRSlZaWqtVqlUql0WjKy8utr3t7e8tksqqqKn9//wsXLkRHRwtcGMYdcaOioiI3N1ej0Vy+fLmqqsr6ulQqjY2NlcvlCoVCoVB4eXk999xzR44cCQoKysvLmzNnjpBFYtzREJnN5uvXr2s0mvz8/IsXL7a0tFibgoODY2JiFAqFXC5fvHixRCLp+cGurq7169efPn06ODhYpVJFRkYKVjPGHTnAaDR+9913+fn5Go1GpVLpdDprU0hICM23QqGIiooSiUQ2jmMymdasWZOVlTV58mS1Wj116lT+awfAuKNB6fX6goICehVXq9WdnZ3WpvDwcJrvhISEsLAwhw5rNBpXrlypVqtnzpypUqkmTJjAdeH9wLijfvQaTrFYLPR1T0/PyMhIhUIRHx+/dOlSmUzmzFna2toee+yxoqKiefPm5eXljRs3jovabcG4o5/cu3eP5luj0dy6dcsaDLFYPH/+/Pj4eLlcHhcXFxAQwOFJm5ublyxZcvPmzZiYmNzcXD8/Pw4P3pddcbdYLB4eOCE1AlmHU1QqVWVlpfX1XsMpo0eP5q+G2tpapVJZUVEhl8uzs7N9fX35O9fgcd+9e3dJScmhQ4cw8SNDS0vLwYMH1Wp1fn7+gwcPrK8HBwcrFAqlUhkXFzd//nxPT0/BSqqqqlIqlZWVlQkJCadPnx41ahRfZyI2lZeX098vf/jDHywWi+03o+FPr9e//fbb1mGTkJCQp556au/evVqtVoB/3zt37hiNxn6b7t69S/9aXbt2bVdXF08FDBJ3QohGo6G/X1577TWeikCCOX78OABMnjz5yy+/rKqqEvLUhYWFgYGBiYmJnZ2d/b7h+vXr9K/V5OTk7u5uPmoYPO6EkOzsbPr75Z133uGjCCSYF198EQB27twp/KntuX5/++23tDfx8ssv81GDXXEnhJw4cUIsFgNAWloaH3UgAVgslokTJwJAcXGxSwqw5/p94cIF+pcxH70Je+NOCKF/rYpEovT0dM7rQAK4evUqAEyZMsWFNXz77bdSqdT29dvam3j33Xe5PbsDcSeE/OMf/wAADw+Pw4cPc1sHEkBqaioAvPLKK64tw3r9fv311wd6z/Hjx2lv4u9//zuHp3Ys7oSQPXv2AIBEIsnIyOCwDiQAesPtuXPnXF0IycrKotfv9957b6D3fP7557Q38a9//Yur8zocd0LIG2+8AQBeXl7D4RuH7HTv3j2RSOTr6/vw4UNX10KIfdfvjz76CAA8PT2PHDnCyUmHEndCyLZt2wDAx8dHpVJxUgfi24EDBwBgzZo1ri7kf+y5fr/zzju0N3H69GnnzzjEuFsslk2bNgGAv7+/Vqt1vg7EtyeeeAIA+g3W73//+40bN5aXlwtflT3X7x07dtDeRFZWlpOnG2LcCSFms/npp58GgKCgoBs3bjhZB+JVR0eHn5+fSCSqqamxv0kY9ly/X3/9ddqbUKvVzpxr6HEnhJhMpqSkJAAIDQ11ybUB2encuXMAEB0dPVBTVFSU8FVZDXr9tlgsv/vd72hvgq5lMDROxZ0QYjQaly1bRkdzf/zxRyePhnjyyiuvAEBqaupATW+99ZbgRf3CoNdvs9n829/+FgBkMtmQexPOxp0Q0t7erlAoAGDmzJl1dXXOHxBxjj5qdPXq1b5N06dPB4CCggLhq+rJnuu3yWT6zW9+Q3sTFRUVQzgLB3EnhLS2tkZFRQHAI4880tLSwskxEVdKSkoAIDg4uO+8vY0m4dlz/TYajUuXLqW9icrKSkdPwU3cCSGNjY2zZs0CgMWLF+t0Oq4Oi5y3a9cuAHjxxRcdanIJe67fBoNBLpcDQERERH19vUPH5yzuhJCamhr6S/PRRx8dJnMZiBASFxcHAMePH3eoyVWs1+/p06fX1tb2+54HDx4sXLgQAObPn3///n37D85l3AkhZWVl9J675cuXd3R0cHtwNAQtLS1isdjLy6vvr1wbTa7V1ta2aNEi29dva28iNjZWr9fbeWSO404IuXPnzvjx4wFg3bp1/D2Wguz05Zdf0qtP36avvvoKABISEoSvalD2XL+rq6sd7U1wH3dCyH//+9+xY8cCwPPPPz8c/gbqq7293dUlCOSZZ54BgH379vVtevbZZwFg7969wldlj4aGhl/96le2r9/W3sTq1atNJtOgx+Ql7oSQb775ht7W7PLbTa3q6uoyMjJSUlKio6MDAgK2b99eUlLi6qL4ZTabAwMDAaC0tNT+puGjurp62rRpAPDYY48NdP0uLi6mX8j69evNZrPtA/IVd0JIbm4uva35L3/5C39nsa20tPSzzz574YUXZsyY0fOBdHovXkhIyHD+x3be5cuXAWDWrFkONQ0rpaWlISEhtq/fhYWFUqlUJpMNOtHJY9wJIadOnaLLYQr5cGR5eXl6enpycnKvlQelUml8fHxqampOTk5bW9vKlSvpQ8ojeDL4T3/6EwD88Y9/dKhpuLFevw8cODDQe9avXw8AH374oe1D8Rt3QsjXX39NVyzZs2cPT6fo6urSarV79+596qmn6PfFKjg4OCkpadeuXWq1ute1ob29nQ7DjeDJ4NmzZwNAXl6eQ03DUGFh4Y4dO2wsDWJj2rgn3uNOCPnss89EIpFIJPrkk0+4OmZ7e7tard61a1dSUpK/v3/PiNu/dkprayt9wGfevHkjbzK4oqKCzsn37QPYaHJHxcXFds4NCxF3Qsi+ffvobc1Hjx4d8kF0Ol1OTk5qamp8fHyvhabCw8OTk5PT09MdvTGzqamJXudiYmKG2/Czk+j3/Omnn+7b9OGHHw7U5I527txp59ywQHEnhPztb38DAIlEkpmZaf+n6uvrrcMpPVft8/T0nD179ubNm48dO9bY2OhMYTU1NeHh4QAgl8sNBoMzhxpWli9fDgBffPFF36YVK1YM1OSO6B2K9swNCxd38vOfR97e3pcuXbLxttra2mPHjm3evHn27Nk9V8UXi8XR0dEpKSkZGRkOTR0PqrKycsqUKSNpMthgMIwePdrT07Opqcn+Jnfk0NywoHG3WCxbtmwBAF9fX41G07NpoOEUX19f63AKr/fhWCeDeV2jUDAnTpwAAIVC4VCTO7IxbdyXoHEnhFgsFrpuW0BAwKFDh9LS0latWkWnYK1kMtnatWs/+OADrVY76MQBh6xrXG3YsGF4Tgbbj9473u/4r40md2Rj2rgvoeNOCOnq6qKPCfdcUlngpWgHcuXKFToZvHXrVlfV4Dwbi+O5fN08bjk6N+yCuJOfnyqQSqWbN2/+4osvhnCfPn/sWeNqmLOxON5wWDePQ3l5eeDI3LBrds3Ozs4GgLVr16anp7ukABseffTRkydPrl69+oMPPpDJZHQNKfdy5swZAFi1apVDTe6Ifjl0fQB7uGZDDlolfW5lGFqxYsXhw4e9vCRz52Y3NOxxdTkOs/HtHebfeUc5+uW4YCsynU4nk8ksFktjY2OvP1KHlbt3D+v1zwHAtGmfBga+4Opy7FVXVxcaGurt7d3c3Ozt7W1nkzv64YcfwsPD/f39m5qaeu1UPBAXXN2zs7NNJpNCoRjOWQeAiIhnJ0/eB0AqKzfdv3/U1eXY68yZM4SQhISEvoG20eSOTp8+DQCJiYl2Zh1cEnc3+n0aHPzqxIlvE9L9448b2toyXV2OXbAnY4PQnRk6ENbQ0HDr1i36rMrwV1u7o75+t4eH94wZZ/z8lrm6HFs6OztlMpnBYKiurg4NDbWzyR0ZDIagoCCz2dzQ0NDrNlgbhB6ZKSgoaGhoCA8Pd5esA0Bo6M7ubl1T0/6ysqSZM7OlUoWrKxpQXl6eXq+PiorqG2iJRHL+/PmrV6+OgKwDQE5OTmdnp0KhsD/rIHzc3XMgTDRlyseEmJqbD5aVJUVEXPTxiXJ1Sf2zMTDn4eERGxsbGxsreFG8GFrHTOi+e2ZmJrhl91E0ZUr62LH/193dVlq6sqPjlqvr6d/Zs2fBLb+9jiE/r+Rq/4g7JWjfvaamZsqUKb6+vs3NzTzujMwbQkzl5eva2s5IJKGRkepRo8JcXREAgMViKS4uVqlU2dnZdJP1+/fvj+wtzgsLC2NiYui6eQ59UNDODL3TfcWKFe6YdQAQibzCw78uK0vU6/NKSxMiI1USyUSXVGI2m69fv67RaPLz8y9evNjS0kJf9/f3b2tre/fdd//617+6pDBh0J7M6tWrHf2goHEfAQNhHh7e06efKi2Nb28vvHt3WUSESiIZL8yp29vbr1y5olar1Wp1QUGB0Wi0Nk2bNk2pVMbFxXV2dr722mtvvfWWt7f39u3bhSlMeEPvEvNz604/jEajj4+Ph4fHCHgO2mx+cPPmQq0WbtyYbzZz+aBJL/Y8r9hr6dARv/2tM3uqCRd3OgcWExMj2Bl5ZTLVlZREaLVw+7bcYuHycRCTqaal5cjbb6fMnTu3ZxdcLBYvWrRo27ZtJ0+etP0g0sje/taZPdWE68yMgJ5MTxLJhJkzL9y9qxw79kmRSAwAev2FhoZ9nZ13urvbJJLJY8YsHz/+/4nF4+w5WlfXPYMhX6fLNRg0HR03AaCsLK6kpEQikSxcuDA+Pl4ul8fFxQUEBNhztK1bt5pMpm3btiUnJ0skkieffNKJL3TYcSZIwo3MTJs2rbKysqioiG58MDJYLO0eHr4A0NZ2pqxstUQyYdy4Zzw9Azo7y3S6nDlzbnl6jhnoow8fFuv1KoNBbTCou7rqrQ2enmOkUkVLS6LZvGDRokVeXl5Dq+3NN9/cuXOnl5fXqVOn6BpSI4CTc8MCxf369esLFiwICQmpra3t+bT1iFFammAwXJk7t0wimfDzawTgF18pIeaHD68bDBqDIV+vv2A237c2icXBvr4xUqlCKpX7+i4Wiey958m27du3v//++z4+PllZWXQNKXeXlZX1+OOPR0dHa7XaIXxcoM4M/VN61apVIzLrANDRcVcimdgj60CzTkiXXn/ZYFAbDKr29qsWy/+GU0aNCpNK4+j/Ro+O5KOqtLQ0nU534MCBVatWXbhwga4h5dac7BILFPcR1nHvy8trqsGgbmpKl8le6vk6Id3l5asslg76n6NGhUulcqlU4eeXIMAslUgk2r9/v16vP3r06MqVKy9fvkzXkHJfdDJ1yEESojPT1NQUEhIiFoubm5vpg88jj15/qaws0WLpGD06cty45KCgjdYZqKqqLR4evlKpUiqVi8VBwtfW1dW1bt26zMzMiRMnqtVquoaUO7px48bcuXODg4Pr6uqGOG3M6RhR/z7//HMAePzxxwU4lwt1dJTV1KR8//0krRaKisQ1NW+6uqL/6ezspCuHufX2t85vnCbEnRUjvidDjRo1PTR017x5lRERF0aNml5f/15r6ylXF/UTLy+vEydOKBSKqqqqhISE+vr6wT8z/HAQJA5/+PplMpnoaPEPP/zA97mGD6OxWKuFysotri7kF9x6+1tONk7j/equVqtbW1vnzZtHdx1hhIeHNwAQYnJ1Ib/g7++flZU1e/bs77//PjExUa/Xu7qin5hMpm+++eaf//ynjfecO3fObDYvWbLEz89vyCfiPe6OrgTiphob9xqNRfT/d3framvfAIBh+KSfTCY7f/58WFhYQUHBmjVrHj586KpKjEajRqPZvXt3QkJCQECAXC5/+eWXGxsbB3o/J11i3gci3fZ5Dgd0d+vr6t4zm5s8PceKxQEm0z1CTIGBG8eNe9bVpfUjNDQ0JydHqVReunTpiSeeyMjIEOx+7JaWlvz8fJVKpdFoioqKzGYzfV0kEs2ZM0epVJpM/f8+7O7uPn/+PDgdJH4HIsvLy2fMmDFu3LiGhga6+9dIRUiXXn+po+NmV1e9RBLi57fM2/sRVxdly927d5VKZUNDw7p16/7973/z969TX1+vVqvprfnXrl2zWCz0dU9Pz8jISIVCER8fv2zZsqAgW0O0KpVqyZIls2bNunnzpjPF8BvBjIwMAEhMTBzZWQcAkUgyZszyMWOWu7oQe0VERGRnZy9btuzEiRObNm369NNPOXwAqqKiguZbo9H0DOjQ7ngD7rrE/KaQkSFINzV//vyzZ88mJCQcOnTIz8/vo48+GvKhLBbLrVu3aL4vX75cVVVlbZJKpbGxsXK5XKFQKBQKutysozjrEnM3UtRbW1ubl5eXWCzmdqcNxC3r9rd//vOfHfpgzw0P6br4VjY2PBwCDjdO4zHux44dA4ClS5fydwrECUe3v83Ozl66dGmvlffCwsI2bNjwySef3L59m6vC9Hp9dnY2nQ/mZOM0HuP+/PPPA0BaWhp/p0Bc+c9//kN3l3j//fcHffOpUz/NFg/0AKEz2tracnJyUlJS5HK59V7/jRs3qtVq5w/OV9y7u7vpVkc3b97k6RSIW9btb21sTk21traePHmyubmZq1NXV1d/9dVXW7ZsmTNnTq/N5xYvXrx9+/bCwkJOTsRX3K9cuUJ/+nk6PuID3W/Vye1v7VReXn7o0CG6v2LPTpGPj49cLqf7K7a2tnJ7Ur5GZtxzcTzWvfrqqw8ePEhNTU1OTpZKpdwOqXV3d9++fZuO3uTl5VVXV1ubeo7exMXF8Tjtxe1Pj9WCBQsA4Pz58zwdH/EnJSUF7Nj+1h42Rm/Gjx9PR2+0Wq1g+xzyMqt67969SZMmue/ieIwjhGzdunX//v2+vr5ZWVl0T2r7tbe3X7t2LT8/Pzc3Nz8/v+dtOSEhIXQaVS6X99ojWhi8dGYyMjIIIcuXL8esuyORSPTxxx+bTKaDBw8mJSVdvHhx0MUjdDrd1atXc3NzNRpNYWFhz1tfwsPDab6VSqXL74rlJe44meru6CJker3+2LFj9CHXWbNm9XpPXV2dRqPp92aY6Oho2hEf9GYYgXHfmXn48GFQUFBHR0dtbe2ECRMG/wAarkwm09q1a8+ePTtp0iSVShUWFjbQzTDe3t5RUVEKhYJexf39/V1Ytg3cx50Q8t1332m12pdeemnwd6PhzWg0rly5Uq1WBwYGisXihoYGaxO9ST0uLi4uLu7Xv/71kJd/EpILNppE7kWn0yUmJo4dOzYzM3P8+PGLFi2if24uXLjQ7VaRx7ijwRFCqqqqOjs7IyIiXF2LUzDuiCFu9ssIIWdg3BFDMO6IIRh3xBCMO2IIxh0xBOOOGIJxRwzBuCOGYNwRQzDuiCEYd8QQjDtiCMYdMQTjjhiCcUcMwbgjhmDcEUMw7oghGHfEEIw7YgjGHTEE444YgnFHDMG4I4Zg3BFDMO6IIRh3xBCMO2IIxh0xBOOOGIJxRwzBuCOGYNwRQzDuiCEYd8QQjDtiCMYdMQTjjhiCcUcMwbgjhmDcEUMw7oghGHfEEIw7YgjGHTEE444YgnFHDMG4I4Zg3BFDMO6IIRh3xBCMO2IIxh0xBOOOGIJxRwzBuCOGYNwRQzDuiCEYd8QQjDtiCMYdMQTjjhiCcUcMwbgjhmDcEUMw7oghGHfEEIw7YgjGHTEE444YgnFHDMG4I4Zg3BFDMO6IIRh3xBCMO2IIxh0xBOOOGIJxRwzBuCOG/H95JARSLLcAiQAAAABJRU5ErkJggg==)
Find more compounds similar to Allylphenyl sulfide.
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