- InChI
- InChI=1S/C13H12OS/c14-15(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-10H,11H2
- InChI Key
- FBPGAWABXWMRAR-UHFFFAOYSA-N
- Formula
- C13H12OS
- SMILES
- O=S(Cc1ccccc1)c1ccccc1
- Molecular Weight1
- 216.30
- CAS
- 833-82-9
- 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 | 0.4439 | Relay (1.0) Calculated Property | |
| ΔfG° | 65.69 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 102.75 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 25.26 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 99.36 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.54 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.77 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.994 | Crippen Calculated Property | |
| McVol | 168.730 | ml/mol | McGowan Calculated Property |
| Pc | 3388.08 | kPa | Joback Calculated Property |
| Tboil | 623.07 | K | Relay (1.0) Calculated Property |
| Tc | 894.05 | K | Relay (1.0) Calculated Property |
| Tfus | 364.86 | K | Relay (1.0) Calculated Property |
| Vc | 0.602 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [393.01; 473.04] | J/mol×K | [608.48; 857.00] | 
|
| Cp,gas | 393.01 | J/mol×K | 608.48 | Joback Calculated Property |
| Cp,gas | 409.58 | J/mol×K | 649.90 | Joback Calculated Property |
| Cp,gas | 424.78 | J/mol×K | 691.32 | Joback Calculated Property |
| Cp,gas | 438.66 | J/mol×K | 732.74 | Joback Calculated Property |
| Cp,gas | 451.29 | J/mol×K | 774.16 | Joback Calculated Property |
| Cp,gas | 462.72 | J/mol×K | 815.58 | Joback Calculated Property |
| Cp,gas | 473.04 | J/mol×K | 857.00 | Joback Calculated Property |
Similar Compounds
![Benzene, [(phenylmethyl)thio]-.](data:image/png;base64,iVBORw0KGgoAAAANSUhEUgAAAPoAAAD6CAIAAAAHjs1qAAAY4UlEQVR4nO3deVhU1/kH8HeYGUA2F8QGNbUqLkCMgXEBUYlZlCqaWqVaqzHQJI31kf40xqpPjSZpjZYYrdg0i0t5XLJhjaioNdEqkRAyG7KjgCKLBVkGhgGGmbm/P06d3My+3zHn/Tz+de5472Hme2Y559xzeAzDAEJ08OG6Agh5DsYdUQTjjiiCcUcUwbgjimDcEUUw7ogiGHdEEYw7ogjGHVEE444ognFHFMG4I4pg3BFFMO6IIhh3RBGMO6IIxh1RBOOOKIJxRxTBuCOKYNwRRTDuiCIYd0QRjDuiCMYdUQTjjiiCcUcUwbgjimDcEUUw7ogiGHdEEYw7ogjGHVEE444ognFHFMG4I4pg3BFFMO6IIhh3RBGMO6IIxh1RBOOOKIJxRxTBuCOKYNwRRTDuiCIYd0QRjDuiCMYdUQTjjiiCcUcUwbgjimDcEUUw7ogiGHdEEYw7ogjGHVEE444ognFHFMG4I4pg3BFFMO6IIhh3RBGMO6IIxh1RBOOOKIJxRxTBuCOKYNwRRTDuiCIYd0QRjDuiCMYdUQTjjiiCcUcUwbgjimDcEUUw7ogiGHdEEYw7ogjGHVEE444ognFHFMG4I4pg3BFFMO6IIhh3RBGMO6IIxh1xT6FQeOZCAs9cxhk1NTVSqXTIkCFxcXEBAQFcVwe5QGNjo+SBwsLCyMjISZMm7dq1KzAw0K3X5TEM49YLOID9XHz77bctLS0AEBsb29TUdO3atYiICK4riOyj1WqrqqqkUqlEIpFKpTKZrLOzk/2AoKAgpVK5cOHCU6dO8fl899WE+7hrtdqKigrpAzKZrKuri/2A8PDwmJiYmpqaioqKyMjI69evDx48mKvaIltoNJrKykr9e5ZcLu/u7mY/IDw8XCQSRUdHR0VFiUQif3//GTNmNDc3v/zyyx988IH7KsZB3G18Lojo6OgxY8YAQFdX1+zZs+Vy+axZsy5duuTn5+fhaiMLDF5TmUymUqnYD2C/plOnTn3kkUcMzlBYWDhnzhyVSpWRkbFx40Y31dMTce/v76+qqtI/F1KptKenh/0A9nMxbdq0n/zkJybP09jYGB8fX1dXt2zZshMnTvj44O9szhi8phKJpLe3l/0A9ms6ffr0YcOGWT1ndnb2smXLGIY5evTob37zG3dU2y1xt+u5iIuLCwsLs/HMpaWlM2fO7Ojo2LJly86dO11ec2SOUqmsrKwsLS0lL6hYLO7r62M/gP2axsfHDx061IGrvPPOO6+99pq/v/+lS5dmzpzporp/zzVxVyqVcrlcIpGUlZWVlpZ+9913arVaf5TP548aNYp8SxOJRDNmzAgNDXX4WleuXElKSlKr1QcOHFi7dq3zlUcWFBYW7t+/XyqVVlVVabVafblAIIiKiop9YPLkyUFBQS65Ynp6emZmZmho6PXr1ydMmOCSc36PcY5Sqdy9e7fB9wqhUDh58uTU1NTMzMz8/Pzu7m4nr2Lg8OHDAMDn80+fPu3aMyO2ixcvLlmyhLymJN+rVq3at29fXl6ek69pa2trfn6+yUNarXbx4sUAMHr06Hv37jlzFWPOxn3dunVhYWEGz4VKpXJJ5SzYtm0bAAQEBHz77bfuvha1UlJSAOBXv/qVRCLp6+tz5lTt7e15eXn79u1btWpVVFQUj8fz9fXt7e01+WCVShUXFwcAU6ZMUSqVzlzXgFNx12q14eHhAFBYWOiqChnr7+/PyMjo6elhF+p0utWrVwNAeHj47du33Xd1aimVysDAQB6Pd+fOHQf+e0NDQ05Ozo4dOxYtWjRy5EiD7xSBgYEJCQn19fXm/ntLSwsZYElOTtZoNE78HT/gVNy//PJLABg7dqyramPSiy++CAApKSlarZZdrlarn332WQCIiopqa2tzax0odOLECQCYNWuWjY8n+d6+fXtycjJ5E2QLDg5OSEhIT0/PysoqKSmxJcE3b94kfRivvPKKc3/K95yK+0svvQQAr7/+uqtqY1JpaSkZV9q4caPBIYVC8fjjjwNAYmKiuU9G5JjnnnsOAA4cOGDuAex8G/cdh4SEsPNt8FZlo2vXrvn7+wPA3r17Hf9LWByPu1qtJh0sJSUlLqmKBf/5z3/IuNL+/fsNDtXX15PPyuXLl+t0OnfXhBIKhcLf39/Hx6ehocH46Pz58wcNGmSQ72HDhiUlJW3dujU7O7umpsZVNfn00099fHx8fHxOnjzp/Nkcj3tubi4ATJo0yflK2OLjjz/m8Xg+Pj7/+te/DA7duHFj4MCBALBt2zbPVOZH78iRIwDw9NNPmzw6bdo08qvpmWee0b9/u++95u233waAAQMGXL9+3clTOR538kvxz3/+s5M1sN2bb75J/uxvvvnG4ND58+cFAgEAvPfeex6rz49YUlISAHz44Ycmj5aUlDQ1NXmyPmSAJTQ0tLKy0pnzOBj33t5e8oZaVVXFLl+zZk1KSkpZWZkzdbJgzZo1ADB06NCbN28aHDp48CDp8r9w4YKbrk6JlpYWoVAoFArv37/PdV3+R6PRkN8SY8eO/e9//+vweRyM+6lTpwBAJBKxC821ARdSq9Xz5s0DgIiIiObmZoOjW7ZsIZ0AMpnMTRWgwfvvvw8A8+fP57oiP9Dd3T19+nQAmDZtmsODXA7Gffny5QDw17/+lV1I2sCUKVMcO6eNOjs7n3jiCdJHZtwZv2rVKgAYPny4Y73FiGGYOXPmAEBWVhbXFTHU2Ng4atQoAFi6dKljXT2OxL27uzsoKIjH49XW1rLLSRvIyMhw4Jx2aWho+OlPf0oG/Iw7459++mkAiI6Obm9vd3dNfnyampr4fL6fn19HRwfXdTFB3yv96quvOvDfHYn7J598AgAzZsxgF5prA25SUlJC+sI2b95scKijo2PSpEkAMGfOHCeHvh3j2BuPl9i/fz8A/OIXv+C6ImZdvXqV9Er/7W9/s/f/OhJ3MoPH4GIm24BbXblyxdfX1+RQSG1tLbmBYMWKFR7ojG9ra2NPCFm/fv2+ffvcfVE3SUhIAICPP/6Y64pYYqFX2jK7497Z2TlgwADjAQiTbcDdjh8/zuPx+Hz+F198YXBILBaTKalvvPGGy69bV1f3xRdfbNu2bcGCBcYD5uT+8YexS7Suro7H4wUEBHR1dXFdFyveeust0ittbmalSXbHPSsri3xPYBeaawMesH37dpKwgoICg0Pnzp0TCAQ8Hu+f//ynk1exa8Bc3whPnTrl5HU9LCMjAwDILUXez0KvtDl2x33+/PkA8P7777MLTbYBz9DpdC+88AKYmRr54Ycfks74f//733adlp1v45utBg4caHlCyI4dO8yNiHmzKVOmAIC93xC40t/fb6FX2iT74t7W1ubr6ysQCAy6+k22AY/RT42MjIw0nhr52muvkTfgoqIic2fQaDTV1dX6fBvfbDV48GB2vm35PfDKK68AQFhYmO3vPdyqrq7m8XjBwcEeuF3BVSz0SptkX9w/+ugjAJg3bx670Fwb8CSFQjF58mQAmD17tsHUSJ1OR+7zHTFiRF1dHSns7+8vKSnJyspKT09PSEgwXs0nPDw8OTl5+/btOTk51dXVDlRJrVbPnTvXXCP0Qn/5y18A4Pnnn+e6Ivax0CttzL64P/PMMwBw+PBhdiFpA0lJSXbX1KXq6+sfffRRMDU1sqenh9znO3bs2LS0tKlTpxqv2zFmzJilS5fu3LnzwoULNn4yWtXZ2WmuEXohMpX63LlzXFfEbjdu3AgODg4JCbE6o8aOuDc3NwsEAl9f39bWVnY5aQNHjhxxoKKuJZPJgoODAeDYsWMGh1pbW8PDw0l7MH7/dlW+jTU0NJCLLlu2zJvnJ5eXl5PvbJyMVDhv4cKFAoHAagjtiPuBAwcAYNGiRexCc22AK+fPn9+wYYPJD7WxY8cCwO9///urV68qFAqPVUk/IrZ161aPXdRepIPrxRdf5Loijujv7yfr2BQXF1t+pB1xnzVrFgAcP36cXWiyDXghiUQCAI888ogLb3y03eXLl8mI2N///nfPX90WkZGRAHDp0iWuK2LFwYMHc3Nz1Wo1u/D8+fMAMHHiRKv/3da4NzQ0+Pj4+Pv7G7wvmmwDXmjTpk0AsG7dOq4qcOjQIQAQCAQXL+ZyVQdzZDIZ6UTq7+/nui6W9PX1DRkyBAAMZpiTnug333zT6hlsjfuePXsAICUlhV1I2oD3D8LpdLqf/exnAPD1119zWI1t27YtWDBeLo/o7pZyWA1jmzdvBoC1a9dyXRErTp8+DQAxMTHsQn0bKC8vt3oGW+NO7tfKzs5mF5psA14oPz8fAB599FFuJ2/pdLpbt9LEYigqGt7X50Xzk8mvmmvXrnFdEStWrFgBALt27WIXkjYQGxtryxlsintNTY3JAQiTbcAL/eEPfwBHp4y6lk6nrqp6ViyGkpIojcYrOuMLCgoAYPjw4V4+kdPclFvSBnbv3m3LSWyKO7k3duXKlexCc23A22i12hEjRoCb136ynUajKC19XCyGyspEnY77zvj169cDwPr167muiBWfffYZAMTFxbEL7Z12btOa0Z9++inpOWYXfvLJJwzDPPfccwMGDLDlJFzJy8traGgYM2YMmRDCOT4/ZNy4XF/fkV1dV2/fTgXgcjsJhmFOnjwJRi+uFzIZwnPnzimVyunTp5PfZtZZbRAVFRUAMGjQIINxQTJeeObMGdsbKCfIvDlv6/Pu7pZKpUFiMTQ0uHdRKsuuXbsGAKNHj/bmITCGNeXWYJ09smKr7YsuWY87mdyXlpbGLjTXBryNRqMhAxAW5odxpaMjVyIRiMXQ3PwPrupAFrQwviPM2xw9ehQAEhMT2YXm2oAF1uMeFRUFABcvXmQXqtXq3NzcgwcP2lxhbly8eBFsG4DgREvLR2IxSCRCheKi9Ue7mkajIXP3vX/hhuTkZDC6Y8ZkG7DMStyLiooAYOjQoV4+AGFOWloaAOzYsYPriphVX79ZLAaZLFilknvsogqF4urVq+RrXkREhPEDtFrthg0bzp8/77EqWdDe3u7n58fn8w2WezfZBiyzEvcjR44IBIKFCxc6Uk2uqdVqk4NwXkZXW7vqQWd8nZuuoVAo2HfT6refGDVq1LBhw4xnyB07dgy8ZsUeMiA9d+5cdqG+Ddg17dxK3CsrK0NCQoKDg2/cuOFITTl15swZAHjiiSe4rogVOl1vRcVssRhqa1Nddc7m5uYLFy7s3Llz6dKlZOtCNj8/v6lTp6alpZEBppkzZxqv2PP888+Dd6zYQ24bOHToELuQLBpn0AasshJ3nU63cuVK8mfr7414WJCav/3221xXxDqNpq2u7v+02m6GYVSq4tra1eXl8ZWVT9bXb7FxNEqtbuzoONvY+EZm5jr2PGciICAgPj5+7dq1hw8flsvl+ilW+oWKTC6fT6Z2R0VFcbhiT0tLi0AgEAqFBlNuyf1rBm3AKus/Vfv6+p566ikAeOyxx7xzqR2Tenp6QkJCAOBhuXeO6O2tlkqDbt1a3Np6vKXlUE3NSq3W9HwktbqhoyOnoWH7zZvJRUXhYjGQf3v3JgBAUFCQ/m5DskueuSuWlpaS+cmbNm0yOKRQKMiKPU8++SRXXXDvvfceACQnJ7MLybRz4zZglU2jqq2trRMnTgTuFipyQHZ2NgBMmzaN64rY5969PXJ5KMOYGM/v7a1ua/u8vn5zVdVcuXyoPt/kn0w2qLLyqbt3N96583llZaVdMwKuXLlCbu/KzMw0OHT37l2yfP6vf/1rTvrmExMTAeDo0aPsQpNtwBa2ThGrqakhnVa//e1v7b0GJ8g2Wnv27OG6Iva5dy9DIvHr6fnB5L729pMy2SCDfMvlYVVV8+rrt7S1fd7b68jdtGwnTpwwt2KPRCIhK/Zs377dyavYq7Gxkc/nG087N9kGbGHH7R3fffcduYXZk2u6O8bJbbQ4pFY3FBUNl0oDa2tf6Or63xTFrq48sRhkssEVFQl1den372epVCUM4+L3WjKeGBAQYLxYSG5uLlmxx8O3aO7duxcAlixZwi401wZsYd+t2WfPnuXz+TwezwuXh2U7fvw42LONllfRaNqamw+Ul8eJxbzKyie1WpVO16dWN3rg0qmpqWBmsRByA75QKDQYcHQrst3kZ599xi402QZsZPeySmTxb6FQ6M03ei1atAgsbqP1UOjsvCyR+DY3e27xPcuLhfzxj38knfFyuSdGxO7cucPj8QIDAw22VjXZBmzkyJKoGzZsAGsLFXGIbKNlPAj3MCopGV9f79EJLRYWC/Fwr/Tu3bsBYMWKFexCc23ARo7EXafTkTn1I0aMuHv3rgNncCvL22h5OaXyG6WygHwv7+g4K5Hw29o8ffeMhcVCPNkrHRsbCwCnT59mF+7atcu4DdjOwd07enp6yMrIsbGx3najquVttLzcvXt7ZLJgqTRQLh8qkQjv3t3ASTWKi4vNLRbimV7pW7dukW8QBsO9MTExxm3Ado7vvHf//v0JEyYAwM9//nPvmUDmhdto2Uun6+vpqejuFnN7d5+FxUL0vdIG08JdqKysLCUlZc2aNexCc23Adk7tml1dXU1mk3t4OZ6mpiZzexd75zZaDykyN4vP5xu/m4rFYtIr/dZbb3msPmSn0dRUx2cWORV3hmEKCwvJn21wf7hr6ZefTklJIfPvzQ2Xeu02Wg+pP/3pT6Q3Rio1XCzk7NmzpDPeY892dHQ0ADizkaizcWcYJicnh3TGOzDKZU5NTU12dvbWrVuTkpLIBwjboEGDTL5/e/k2Wg8jnU5H9os2uXz+Bx984LFe6eLiYnLrhcESYnZxQdwZhnn33XcBwNfX96uvvnLsDOztA4zzbXX7AIJso7V48WIn/hRkiD010rgz/tVXX/VMrzT5nPnd737nzElcE3fmwVouQ4YMsWUxJ+aH+XbJ9gHMg220yBIJyIUUCgVZDjsxMdGgM16r1ZLpSe7+/TZu3DgAuHz5sjMncVnctVrtL3/5SwAYPXq0hfGd+vp6k9sHjBw5ctGiRTt27MjJyXFsg6eHaButh1F9fb25qZE9PT0ZGRlu7Z0jaz85v6Kty+LOMIxKpYqPjwcAkUhkbtCrr6+PzDVlL6/e1NTkzHX7+vokEsnSpUvh4dlG62Gknxr5+utuXyxErVazt1fx9fUNCwtzfkVbV8adYZiWlhbyobNgwQJzzT0/P9/JxeANngt/f3/yEbFkyRJPTmCiEJkaCQD/+IeLFwvp7u7Oz8/PzMxMTU2dPHmyUChkf/j7+Pjs3r3bsYkDbDyGcfEqVtXV1fHx8S0tLS+//DL55e48pVJZVFQkfaCsrEyj0eiP8vn88ePHx8bGpqenk2UrkfscPHjwpZdeEgqFZ8+eJfPJHNPV1VVUVCSRSCQSSVlZWXFxsVqt1h/l8/kTJkyIjo6OiooSiUQJCQnkLnsnuT7uAFBYWDhnzhyVSvXOO++QX+72Yj8XEomE3J6jP0qeC5FIJBKJoqOjRSLR4MGDXVd9ZMWWLVt27doVHBycl5dH5pPZorOz88aNG/rXtKKiQqfT6Y8KBILx48eLHoiJiTH+gec8t8QdAD7//PPly5czDHPs2DEyn8wyhUJRXFxs43MRGxtLdqZGnGAYZvXq1UePHh0+fHhBQYHxneBER0dHSUmJ/jUlXXb6o0KhcNy4cSIWDyw26q64A0BGRsamTZv8/f2//PJL0kXI5oXPBbKdWq2eP3/+V199FR0d/fXXX5P5ZO3t7aWlpTa+plOmTNH/6PIYN8YdANLT0zMzM0NDQ69fvx4cHEy+pZFnpKysjP1IX1/fiIgI/XNhci9I5FXa29sTEhLKy8snTpw4ZswYmUzW1NTEfkBwcHBMTEzsAxMnTuTz+VzVlnBv3LVa7eLFi8+cORMUFKRUKtmHQkJCyHNBvpyMHz+e8+cC2ev27dszZ84MCwuTy+UAEBISMmnSJP17VmRkpH65Mi/h3rgDQHd39+bNm4uLi+Vy+WOPPebNzwVygEqlKigoaGtri42NNV6uzNu4Pe6EQqEYOHCgBy6EkAUeijtC3gC/TiCKYNwRRTDuiCIYd0QRjDuiCMYdUQTjjiiCcUcUwbgjimDcEUUw7ogiGHdEEYw7ogjGHVEE444ognFHFMG4I4pg3BFFMO6IIhh3RBGMO6IIxh1RBOOOKIJxRxTBuCOKYNwRRTDuiCIYd0QRjDuiCMYdUQTjjiiCcUcUwbgjimDcEUUw7ogiGHdEEYw7ogjGHVEE444ognFHFMG4I4pg3BFFMO6IIhh3RBGMO6IIxh1RBOOOKIJxRxTBuCOKYNwRRTDuiCIYd0QRjDuiCMYdUQTjjiiCcUcUwbgjimDcEUUw7ogiGHdEEYw7ogjGHVEE444ognFHFMG4I4pg3BFFMO6IIhh3RBGMO6IIxh1RBOOOKIJxRxTBuCOKYNwRRTDuiCIYd0QRjDuiCMYdUQTjjiiCcUcUwbgjimDcEUUw7ogiGHdEEYw7ogjGHVEE444ognFHFMG4I4r8P61IWepnwDYFAAAAAElFTkSuQmCC)
Find more compounds similar to Benzyl phenyl sulfoxide.
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