- InChI
- InChI=1S/C5H12OS/c1-5(2,3-6)4-7/h6-7H,3-4H2,1-2H3
- InChI Key
- YCCMKEDQXNVBHB-UHFFFAOYSA-N
- Formula
- C5H12OS
- SMILES
- CC(C)(CO)CS
- Molecular Weight1
- 120.21
- 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).
- 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).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- 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° | -113.37 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -269.03 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 9.42 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.84 | kJ/mol | Joback Calculated Property |
| log10WS | -1.01 | Crippen Calculated Property | |
| logPoct/wat | 0.935 | Crippen Calculated Property | |
| McVol | 103.530 | ml/mol | McGowan Calculated Property |
| Pc | 4311.22 | kPa | Joback Calculated Property |
| Inp | 962.00 | NIST | |
| I | 1680.00 | NIST | |
| Tboil | 465.61 | K | Joback Calculated Property |
| Tc | 659.33 | K | Joback Calculated Property |
| Tfus | 245.81 | K | Joback Calculated Property |
| Vc | 0.378 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [215.31; 266.46] | J/mol×K | [465.61; 659.33] | 
|
| Cp,gas | 215.31 | J/mol×K | 465.61 | Joback Calculated Property |
| Cp,gas | 225.15 | J/mol×K | 497.90 | Joback Calculated Property |
| Cp,gas | 234.43 | J/mol×K | 530.18 | Joback Calculated Property |
| Cp,gas | 243.17 | J/mol×K | 562.47 | Joback Calculated Property |
| Cp,gas | 251.41 | J/mol×K | 594.76 | Joback Calculated Property |
| Cp,gas | 259.16 | J/mol×K | 627.05 | Joback Calculated Property |
| Cp,gas | 266.46 | J/mol×K | 659.33 | Joback Calculated Property |
Similar Compounds
![bis-[3,3-(2-Methylpropanol-1)] disulfide.](data:image/png;base64,iVBORw0KGgoAAAANSUhEUgAAAPoAAAD6CAIAAAAHjs1qAAASVklEQVR4nO3de3BUVYLH8d/t7rxJIOkEEiTIc2uVh1AQUBcn6xAsqlBrtMjoVIHAQAIWgui4JgRRpwaQEZHwUAgiI1oumBVhGKhF01lEGFem4mMpYBAN2AkBbEIn1Z1XJ905+8eNefFI0rm3bzfn9yn+uunccyBfbp++3blXEUKASA4moydAFDjMnSTC3EkizJ0kwtxJIsydJMLcSSLMnSTC3EkizJ0kwtxJIsydJMLcSSLMnSTC3EkizJ0kwtxJIsydJMLcSSLMnSTC3EkizJ0kwtxJIsydJMLcSSLMnSTC3EkizJ0kwtxJIsydJMLcSSLMnSTC3EkizJ0kwtxJIsydJMLcSSLMnSTC3EkizJ0kwtxJIsydJMLcSSLMnSTC3EkizJ0kwtxJIsydJMLcSSLMnSTC3EkizJ0kwtxJIsydJMLcSSLMnSTC3EkizJ0kwtxJIsydJMLcSSLMnSTC3EkizJ0kwtxJIsydJMLcSSLMnSTC3EkizJ0kwtxJIsydJMLcSSLMnSTC3EkizJ0kwtxJIsydJMLcSSLMnSTSde6FhYXr1q0LwFSIOvv+eyxfjsxM/O53WL8e1dUt2595BiUlHR5ZUID33utyf13kXlZWNnv27BdffPH111/3a75E/vrkE4wdi2++QVoaRo7EBx9g9Gj88AMAbN+OH3/s8ODDh1Fc3PU+RVd2795tNpsBrF69ussHE2nj2jURFyeee65ti8cj0tJEeroQQoSFid27Ozz+N78Rs2Z1udeuFzNPPvnkjh07TCbTihUr1qxZ49f/U6Ie2r8fDQ14+eW2LeHhyMvD0aMoK/N7r5buPGju3LkA5s+fv2LFCgB5eXl+j0fULWfOIDUV/fp12HjPPS1fAnDwIMrL2770ww8YP77LvXYrd3QsXlGU5cuXd/MbiXrGbsegQfB40KdP5y/FxgJAQ0PLw9pzubqz7+7mDmDu3LlCiAULFqhHdxZPmqmpwVdfwWaDzYavv8aJExgwABUVnR+mHs5TUgBg8WI8+WTblx57rDvj9CB3APPmzQPA4kkDHg++/LItcZ+vZXt8PMrKkJ6OlStx/DimTGn7ln37EB/fsqTxS89yR8fiFUXJzc31e2yS0fnzLYl/+mnbCsRiwYQJyMhARgbS0xEWBgAPPojsbOzdi7vuAoDPPkN+PvLyEBnp9+A9zh3AvHnzhBBZWVnq0Z3F063Z7Xabzfbod98lFRbC4WjZqigYN64l8QceQHR052/buxe//z3uvhuDB8PtRn09cnKQk9Orqfh9YvTdd981mUwAXnvtNb93Qrcrt9tdVFSUk5MzYcIEtbQj6ekCEMnJIjNTFBSIixe7taNLl8Tnn4u//13U1LRtLC0VbneHh125In7+ucud+Z+7aFf82rVre7Mfuj00NDQUFxfn5eVNmjRJfWtSFR8f//jjjx/euVOcO2fsDHuVu2DxJERpaWlBQUFmZmZcXFxr4haLZcKECTk5OUVFRY2NjUbPsUVvcxdCqO+5sngJuVyu1atXtyZuMpnGjRv3wgsvHD58uLa21ujZ3YAGuYtfilcUZePGjZrskELCqlWroqKiEhISFixYsGfPHofDYfSMuuDPmZnrzZ8/H0B2dvayZcsALF26VJPddt+FCxdsNpsQ4r777hszZkyAR5dWUVFRfX39hx9++Fj33uUxnob/dd55551AHuNdLlen1/5Wq9VkMq1ZsyYAo1NNTU1ERITZbHY6nUbPpbu0zF20K37Tpk3a7llVX19vs9lyc3MnTpyovmBQJSQkzJw586mnnuK50YA5dOgQgHvvvdfoifSAxrkLfYpvfe0fq35ICEDH1/5NTU3qI/luQMCoC9eVK1caPZEe0D53oVHxly5dKiwszM7OHjhwYPvV17Bhw7KzswsLC10u1w2/kcUHxqhRowB88cUXRk+kB3TJXQixfft2RVEURdm8eXP3v+v65bgqJSUlMzOzoKCgoqKiO/vhuwF6u3z5sqIoMTExHo/H6Ln0gF65i24X39TUVFJSsnbt2oyMDIul7UxRbGxsRkbG2rVrS0pK/Bidxetq165dAB5++GGjJ9IzOuYubll895fjfmPx+pk1axaAkHubRd/cRbvit2zZ4vdy3G98/0sPzc3NKSkpAM6cOWP0XHpG99yFEJs3b1YUpf1CBcDQoUOzsrI++uijq1ev6jo6i9fcyZMnAQwcONDoifRYIHIXQkyfPj02NjYyMrI3y3G/bd26VX2GsdneDeS4t6v169cDmDNnjtET6TFtPkTQperqarfbffDgwRkzZgRmxPYWLVokhHA698THL3Q4avv3XxL4OVzP53ObTNGKYu76oUHGZrMBmDZtmtET6TFFCKH3GNXV1UlJSSaT6dq1a32u//XyQKms3GG3LwREaupGY4u/fHmVw7HB63UqiiU29sERI/47hKJvbGy0Wq21tbUVFRXqCj6EBOLofuTIEa/Xm56ebmDrABITFwDCbl9UXv4sAKOKdzr3XLmyesiQD+Lipnm9zrq6b0KodQBffvllTU3N2LFjQ651BCb3oqIiBMdzX2JiFgC7fWF5+bOA0r//M4GfQ03NF1FR98THzwRgNveNiBga+Dn0RvD8NP0QiAteB9U/UGJi1p13FgAoL1/qcGwJ/ATCwgbW1X1XVfUxoPsyUg9B9dPsKd3X7na7fciQIf369ausrGz/+4vGqqx8x25fCCA1dVPAjvFC+BTF3Nxcc+HC7Orq/eHhQxIT5yUlLbZYrIGZQO9VVVUlJSWpH/qNiYkxejo9pvvR/bPPPgMwderU4GkdgT3GezznKyu3nz//29OnRwLNJlOf4cP3jR59zmqd43BsOXt2cnNzra4T0FBxcbHP55syZUooto4ArN2D9rkvMTHrl1euSxVFSUparOHOPZ7zbrfN5bK53f/j9V77ZbOpoeFcZOS/AoiIGDlw4KtW6+xTp0a6XJ/26/e4hqPrJ2h/mt2kb+7Nzc1HjhwBkJGRoetA/klMzAZgty8qK1sCoJfF+3zu2toTauV1dV+3bg8LS+nTZ0pcXEbfvg+HhXX49ITFYgUUQOnNuIEUumfcVfqu3UtKStLS0oYMGXLhwgX9Ruklh2Ozempy5MjDcXEPAWhsvOj1XrFYBoSHp976e4Xw1tf/n8tlc7ttbvfnQnjV7WZzbEzM5NjYjLi4jOjoDh9mvnRppRDePn3+TYhmh2NTQ8OZu+8+JUSjy1Vktc7W56+ojdLS0hEjRlitVofD0f5XyUKIvkd39bnvoYce0nWUXurff4nJFOFy2WJjf+31OkpLM2tr/9disXq91/r2fWT48L3XfUdzXd23LpetpuZ4Tc1Rn8+tblUUS3T0hLi4jNjYjNjYf1eUG//b9unzwLVrH1y69KoQTdHR4wcPfttsjjlzZkpDw9nmZpe2ayptqT/NqVOnhmjr0Dv3UHnuS0zMTkzMApSKihVeb+WYMWVhYcnNzXUeT9uT0k2W44iIGKYexePippvNsTfafQdxcQ+pzyHtDRjwvN2+sKxsiRDNQfIZh+uF+sIdui5m6urqEhISvF6vw+FISEjQaRRtnT07KTp6wuDBW9tvrKjIrar6L4/nfOuW1sRjY3+t1WnEysp37PZFwfAZhxvy+Xz9+/d3Op3nz58fOjTE3hprpePR/dixYx6PJy0tLVRaBxAZeZfT+Z8xMfcnJPxWUSLUjR7PTx7PeYvFGhNzn/qis9NyXBPB8I7vLZSUlDidzpEjR4Zu69A191B87hs06A2fr8Zun19e/qzVOjsl5SWLJSklJS85+T+io8fr/TZFu+KXAgiq4tWfZnCeYes+5t6BxZI0fPher9fhdBZevvynmprjd91VEhU1NmATCNriQ+Vl2K3ptXb/+eefU1JSoqKinE5nRESEHkPoze0uPncuY9So7yMj/yXAQ7d+xmHw4M3BcK6mtrbWarV6vd6rV6/Gx8cbPR3/6fXsrF6xMT09PdRab/vP39xcB8Bsjrv5g/WSmJh1553bAJSVLbl69a3AT6CTo0ePqi/DQrp16LeYCcWVDICzZydHRY2JirrH56tyON7u1+/xsLBkQ2ai7Tu+vRSiP83r6XV0Ly4uRuj9A4nU1I0WS/+ammMNDT/cccefhg3bbeBsEhOzU1M3Ajh9+tXdu/9i4Exum9x1+dXs06dPA0hOTm5ubtZj/1K5eHHLqFEjFUUpKCgI8NA+n6+kpES9cXR0dHTw3ITDb7rknp+fD2D27Nl67FxC27ZtU6+k8NZbbwVguIqKik6XA7JarQEbXVe65K5ebuD999/XY+dyys/P17X4yspKNfFhw4a1f/JXLwe0cOFCP674GYS0z72xsVG9JdXFbt5JkLpnw4YN2hZfV1dXVFT0yiuvdOfqnP5d4zbYaJ/70aNHAYwePVrzPdOGDRsAKIry9ttv+7cHdTmuXoA2st3tp7tzdc721z/sxV/CSNrn/tJLLwF47rnnNN8zCX+Lb70ArdXa4QNtPb06Z0FBQUgXr33ukydPBnDo0CHN90yqbhZ/s+W4mviuXbu6ebH8TkK6eI1zr6qqMpvN4eHh7k738CZNtRa/devW9tvV5bh6P4j2v4RhtVrV+0GUlpb2fvTW4kPuXI3GuX/yyScA0tPTtd0tXe/NN99sPcbfcDkeFRXV+orT5/NpO3qAz41qRePcn376aQCrVq3Sdrd0Q+vWrQPQPnGTyTRx4kT1FWd9fb2uo4di8RrnPmLECAAnTpzQdrd0Mxs3bly9enXrK87KyspAjq73uwGa0zL3n376ST1r6/V6Ndwt3Zqxn9To/bnRQNLyI2IpKSlz5sypq6s7cOCAhrulW1MUIy9Ts2zZsg0bNgghFi9evHXr1q6/wVBa5h4eHj5o0CCfz/fEE0/s379fwz1TMAul4jV/vlixYgWAsLCwffv2ab5zClo3OzcaVHT5iBiLl1PrudGgLV6vW5Hl5eWxeAkFefE63nlPLT48PHz//v36jULBJpiL1/dGkyxeTuqdKBVF2bZtm9Fz6UD3+6ouX76cxUsoOIsPxG2En3/+eQAREREHDx4MwHAUJNTiTSbTe++9Z/RcWgTortm5ubn9Y2KcEyeKv/41MCNSMHjjjTeCqvgA5S6EuPrKKwIQERGCx3iZBFXxgctdCCFycwUgwsN5jJdK8BQf2NyFEDk5LcUfOBDoock4a9asAWA2m/fs2WPgNAKeu2Dxklq3bt2AAQNOnTpl4Bx0v43wjeXm4s9/Rng4Pv4YjzxiwATICE6n09h7WxiUuxBYtgybNrF4CiSDbqGmKMjPx9KlaGzEzJn429+MmQZJxrg7BnYq/uBBw2ZC0jBoMdNKCCxdii1bcP/9OH4chv5iDt32jM4dgBBYvx7z56P1zhBXruDsWZhMGDUKrVe9OnsWSUlofxGsigo0NWHIkADPl0JXEOTentuNrCwUFmLgQDQ14do1ZGUhPx8REbjjDuTmYkm7G45mZ6OsDIcPGzddCjH63jW7x2bNwqlT+OYbjBsHAP/4R8tJmyD/DUgKEcF0c/uTJ3HgADZtamkdwKRJ+OMfsWMHrlwxcmJ0uwim3I8dg8WC6dM7bHz0UXi9+OorAGhqQl1d2x+fz5BpUugKptwrK5GcDLO5w8bkZFgscDgA4A9/QExM25+dOw2ZJoWuYMo9OhpVVZ03ut3wehETAwCvv47q6rY/c+cGfIoU2oLppero0aitxY8/YsSIto3ffgsAY8cCQGQk+vZt+1JYWGDnRyEvmI7uU6ciNRUvv9y2KPf5sGoV0tIwZoyhM6PbRDAd3cPD8eGHmDEDv/oVZsxAUxMOHUJ5OWw2o2dGt4lgyh3AAw/gn//Ezp04eRJmMzIzMX8+1I+MZmdj/PgOD5427QZrfaKbC7J3VYn0FExrdyKdMXeSCHMniTB3kghzJ4kwd5IIcyeJMHeSCHMniTB3kghzJ4kwd5IIcyeJMHeSCHMniTB3kghzJ4kwd5IIcyeJMHeSCHMniTB3kghzJ4kwd5IIcyeJMHeSCHMniTB3kghzJ4kwd5IIcyeJMHeSCHMniTB3kghzJ4kwd5IIcyeJMHeSCHMniTB3kghzJ4kwd5IIcyeJMHeSCHMniTB3kghzJ4kwd5IIcyeJMHeSCHMniTB3kghzJ4kwd5IIcyeJMHeSCHMniTB3kghzJ4kwd5IIcyeJMHeSCHMniTB3kghzJ4kwd5IIcyeJMHeSCHMniTB3kghzJ4kwd5IIcyeJMHeSCHMniTB3kghzJ4kwd5IIcyeJMHeSyP8DPpsDiMCUmRQAAAAASUVORK5CYII=)
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Sources
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