- InChI
- InChI=1S/C5H12OS/c1-7-5-3-2-4-6/h6H,2-5H2,1H3
- InChI Key
- JNTVUHZXIJFHAU-UHFFFAOYSA-N
- Formula
- C5H12OS
- SMILES
- CSCCCCO
- Molecular Weight1
- 120.21
- CAS
- 20582-85-8
- Other Names
-
- 4-(Methylsulfanyl)-1-butanol
- 1-Butanol, 4-methylthio
- 4-Methylthiobutan-1-ol
- 4-methylsulfanylbutan-1-ol
- 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).
- 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 |
|---|---|---|---|
| ω | 0.6127 | Relay (... Calculated Property | |
| ΔfG° | -112.48 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -278.82 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 16.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.24 | kJ/mol | Relay (... Calculated Property |
| IE | 8.77 | eV | Relay (... Calculated Property |
| log10WS | -0.01 | Relay (... Calculated Property | |
| logPoct/wat | 1.122 | Crippen Calculated Property | |
| McVol | 103.530 | ml/mol | McGowan Calculated Property |
| Pc | 3960.52 | kPa | Joback Calculated Property |
| I | 1812.00 | NIST | |
| Tboil | 488.76 | K | Relay (... Calculated Property |
| Tc | 712.68 | K | Relay (... Calculated Property |
| Tfus | 249.71 | K | Relay (... Calculated Property |
| Vc | 0.359 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [213.57; 262.20] | J/mol×K | [474.76; 656.94] | 
|
| Cp,gas | 213.57 | J/mol×K | 474.76 | Joback Calculated Property |
| Cp,gas | 222.54 | J/mol×K | 505.12 | Joback Calculated Property |
| Cp,gas | 231.16 | J/mol×K | 535.49 | Joback Calculated Property |
| Cp,gas | 239.43 | J/mol×K | 565.85 | Joback Calculated Property |
| Cp,gas | 247.36 | J/mol×K | 596.22 | Joback Calculated Property |
| Cp,gas | 254.95 | J/mol×K | 626.58 | Joback Calculated Property |
| Cp,gas | 262.20 | J/mol×K | 656.94 | Joback Calculated Property |
Similar Compounds
![Ethanol, 2,2'-[1,4-butanediylbis(thio)]bis-.](data:image/png;base64,iVBORw0KGgoAAAANSUhEUgAAAPoAAAD6CAIAAAAHjs1qAAANLklEQVR4nO3cfVBU9R7H8d8uj5IhhOJNUHyAITPFJExTk4pGbGm6NiF3JvZqMw3pjEPd+mOdpobbZDP8cx0os6GmGdGcChtr0CaJUEcmET2roPEogjwrsgsKC+7u2fO9f5x1ZQhwgV24t+/n9dcKh/2elfee3/4WVENEAoAH7XSfAMDUQe7ACHIHRpA7MILcgRHkDowgd2AEuQMjyB0YQe7ACHIHRpA7MILcgRHkDowgd2AEuQMjyB0YQe7ACHIHRpA7MILcgRHkDowgd2AEuQMjyB0YQe7ACHIHRpA7MILcgRHkDowgd2AEuQMjyB0YQe7ACHIHRpA7MILcgRHkDowgd2AEuQMjyB0YQe7ACHIHRpA7MILcgRHkDowgd2AEuQMjyB0YQe7ACHIHRpA7MILcgRHkDowgd2AEuQMjyB0YQe7ACHIHRpA7MILcgRHkDowgd2AEuQMjyB0YQe7ACHIHRpA7MILcgRHkDowgd2AEuQMjyB0YQe7ACHIHRpA7MILcgRHkDowgd2AEuQMjyB0YQe7ACHIHRpA7MILcgRHkDowgd2AEuQMjyB0YQe7ACHIHRpA7MILcgRHkDowgd2AEuQMjyB0YQe7ACHIHRpA7MILcgRHkDowgd2AEuQMjyB0YQe7ACHIHRpA7MILcgRHkDowgd2AEuQMjyB0YQe7AiO90nwBMO7JYJEW5ExT0lI/PrOk+Ge/SENF0nwNMp+vXt2u1QX5+Eb6+j8yZs3O6T8e73Li6l5SI5ctFeLgQQpw5I5YsERERorpanD4tAgNFSorzU/D/qa/v1LJldVpt4JRNlGX5119/DQkJWbRo0aOPPjplc4Vbr90PHBDXrztvf/utqKsTx46JXbtEVJQICBCbNonmZm+e4XSSZVmW5alcAC9cuCBJ0sGDBx0Ox9RMDAt7o7b26a6uTxVlYArGlZaWxsfH63S6LVu2REdH7969u6+vbwrmOtEDpadTebnz9o4dVFJC8fHU1ub8yOHD9M47D76TSevp6fn888+PHDlSWVk5BeOIqLi4eOnSpW+++WZCQsKZM2e8Pc5kMmVmZvr4+ERGRgohli5devz4ca9OtFguqDdstva2tt0NDa8oirW3t9BL49rb219//XWNRiOEiIqK2rBhg1pgZGRkfn6+w+Hw0tyh3Mt93TrS6Uino6goKimhBQvuf7aqijZv9t75EZGiKPn5+XPnzhVCBAUFabVavV7f0dHhvYkNDQ0pKSnqN+Phhx8WQmg0mrS0tMbGRm+Mk2V53759oaGhQgh/f/9XX3114cKF6vSXXnqpurra4xMHB+vq65MlSdvfX6Z+xOHou3Il5saN/0iSqKl5uq/vdw+Os9lsOTk5wcHBQogZM2ZkZWUNDg4S0blz55555hn1ka5aterUqVMeHDqiCV3dlywhu935kdJSSk8nWSabzRvnd/78+dWrV6t/I+vXr9fr9f7+/kKImTNnfvzxxxaLxbPjBgYGsrKyAgMDhRAPPfRQVlZWT09Pdna2Gr2/v39mZmZvb68HJw59gM8//3xVVRXd6yMkJEQI4evrm5GRcePGDY+Mk+Xbra3vGY1+kiQqKsLM5h/q619sbPxHTc2aW7e+6u7Or6gIlyQhSdqmJr3V2jL5iSdPnly2bJn6AFNSUoZdMhRFOXTo0Pz589UDtmzZ0nT16uSHjmZCub/9Nn36KRGRLNPWrXT0KO3fTzExVFDgwTNzLe5CiHnz5uXn5yuKQkT19fWpqanqmhgREZGXl6e+vJ68wsJC9bKq0Wj0ev3Qwtra2jIyMtSTCQsLy87OtlqtkxzX0dGh1+vVB6Iu6MMOMJlMBoPB9fR2XRQnrLe38PLl+a6a7fYu9eMOR5+i2O7d7m9vz7p4MVCSxMWLM9raDLJ8e2Lj2tra9Hq92nFMTMzPP/882pEDAwPZ2dnBwcF+fn51MTGUkUFdXRMbOjY3cjcY6PJl5+2PPqJz56i/n3btouRk2rSJcnOJiDZuJCFICEpMJKNxkufkcDjy8/Nnz54thPDz88vMzLx9e/jfeFlZmWsdjI+PP3369GQmdnfXJSUluVbVs2fPjniY0WhMTExUD4uNjS2Y6NN72OJuMBj6+vpGO7i2tjY1NVUdOn/+fNfTflwGBipqazdIkpAkUV39VH//ubGPt1pbm5r0kqSRJFFRMfvmzRxFGcc1xWq15uTkzJw5U339mZWVdffu3Qd+VWdn53cffEA+PiQEPfII7d1Lk76mDONG7u6w2ykvj+bOJSFIo6HUVGpqmtg9jbi4j0hRlIKCAvV6vG3bs/X1SYODox48GvViZjQGvPFGXGhoaE5OzgPXiuLiYtfq/MILL1y6dGlcE0+ePPnEE0+MtriPpqSkZOXKlepXJSQklJaWujnObDYfOPBvo9FHkkRl5d+6uw8Qufts6e8vq6lZq64GmZm64uJid76quLj4sccecz3A5uZmN8c5VVeTTue8ekZHU0EBjf/pPRoP5a7q66OsLAoMJCEoKIgMBvrTVXkMnZ2dGRkZWq12tMV9RBaL5ZNP9pw+vVCShNHo39r6L1k2uzdQMZm+qaycp347q6oM3d3dbp6qzWbLy8ubM2eOEML9rfPQxT06OnqMxX1E6qLneqM6JSXl2rVrYxyvbvHDw8O1Wm1BwfKWlkxZnsCuQzGbvysq+rs6VKfTjbF1HrrFj42NLSoqGv+4e4qLacUKZ/Rr1tDvntk6ezR3VWMjbd1KGg0J0Zic/PXXXz/wPSa73e7+4j7KPdxqaclUr2GXLoV2dmYrylir5+BgTX39i0MW97JxjVOZzWaDwRAQEKDua8c4bfXVy3gX9xH19/dnZ2erdzXG1rm8vDwhIUEt77nnnqupGfe6N5T64mSMrbPFYnFt8UNCQjyytyG7nfbvp/BwEoJ8fam5mY4do8RE2ryZkpKovJzOnKF333UebDTSW2898C69kLvq7FnHxo1r5s0TQsTFxf3222+jHXjq1Kmhi/vYV6yxDQ5WX72qUyO+ciXGbL7/2lqWexXFTkSy3NPSkmk0+qpvTdy8mUM0qXd8/7x1Hvb0Vt+/dz3A69evT2acatjWOScnx37vvbLRtviTN9rWeYwtvgfcvk0GA+3YQW1tFBfnfL3Q0kKPP06//EI7djgPKy+n9PQH3pnXciciosLCwsWLF6vf6aSkpMuuLS8R/Wlx99RPVXp7j//xx1I1+rq6RKu1qabm6WvX0mprN/T3n6uomCNJwmj0bWl5e0KL+8jKysrWrl07bOvc0NDg2mVOdnEfiSRJGzdudN3/999/P2yLf+fOHc9OJKLq6mqdTqcOXbBgwZNPPul61GVlE1kk3XX4ML3//v0/vvYa7d9POh2dOEEnTlBu7vTnTvfWwVmzZg1dB9XFXX0ze5KL+4gUxX7rVl5l5dxr19K6uvZ1dOy59xlHTc3q2tpnBwY8/6NZ9bW1+jNRIcTy5cvVxX3WrFlDr74ed/To0ZiYGDFEcnJyXV2dl8apXFvnyMhIN7f4k/Xll7Rnz/0/bttGe/fSunWUm0u5ufTee/8Tuau6urp27tzp6+srhAgODnbtt9LS0lpbW700VJZ7bbYbFsuFK1eWdHV9oV7L7XZ396MTY7FY1LeQV61a5ZXFfSRWq3Xv3r3bt29/+eWXf/rpJ2+PU8myXFRUdPHiRZPJNBXzysrolVectxWF4uLohx/G+2JmSn8BuK6u7sMPP/zxxx8XL16s0Whyc3M3bdo0BXNttmaT6Ruz+WB09ImAgEVTMLGzs9Nut5vNZte7h+AB6eli9myxZo04dkzExor168WRI+KLL4QQ4vx58dln4tChse9gGn7fvb6+PiAgICIiQr3YT5n29t2BgY+Hhf1zKoeCh5WWiqYmsWKFWLlSdHeL9nYRFyeEED09orFRxMeP/dV//X/eYTIdunu3ytd3tsmUHx193N8/arrPCKbNXz93IZSBgUsOR29Q0Cofn9DpPhmYThxyB3DC/0QAjCB3YAS5AyPIHRhB7sAIcgdGkDswgtyBEeQOjCB3YAS5AyPIHRhB7sAIcgdGkDswgtyBEeQOjCB3YAS5AyPIHRhB7sAIcgdGkDswgtyBEeQOjCB3YAS5AyPIHRhB7sAIcgdGkDswgtyBEeQOjCB3YAS5AyPIHRhB7sAIcgdGkDswgtyBEeQOjCB3YAS5AyPIHRhB7sAIcgdGkDswgtyBEeQOjCB3YAS5AyPIHRhB7sAIcgdGkDswgtyBEeQOjCB3YAS5AyPIHRhB7sAIcgdGkDswgtyBEeQOjCB3YAS5AyPIHRhB7sAIcgdGkDswgtyBEeQOjCB3YAS5AyPIHRhB7sAIcgdGkDswgtyBEeQOjCB3YAS5AyPIHRhB7sAIcgdGkDswgtyBEeQOjCB3YAS5AyPIHRhB7sAIcgdGkDswgtyBEeQOjCB3YAS5AyPIHRhB7sAIcgdGkDswgtyBEeQOjCB3YAS5AyPIHRhB7sAIcgdGkDswgtyBEeQOjCB3YOS/FibuYbBrPSUAAAAASUVORK5CYII=)
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