- InChI
- InChI=1S/C5H12OS2/c1-7-3-5(6)4-8-2/h5-6H,3-4H2,1-2H3
- InChI Key
- BTQNSLFPJKRBQK-UHFFFAOYSA-N
- Formula
- C5H12OS2
- SMILES
- CSCC(O)CSC
- Molecular Weight1
- 152.28
- CAS
- 31805-83-1
- Other Names
-
- 2-Propanol, 1,3-bis(methylthio)-
- 1,3-bis(methylthio)propan-2-ol
- 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).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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° | -81.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -220.30 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.53 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.65 | kJ/mol | Joback Calculated Property |
| log10WS | -1.06 | Crippen Calculated Property | |
| logPoct/wat | 1.073 | Crippen Calculated Property | |
| McVol | 119.880 | ml/mol | McGowan Calculated Property |
| Pc | 4088.15 | kPa | Joback Calculated Property |
| Tboil | 543.10 | K | Joback Calculated Property |
| Tc | 748.61 | K | Joback Calculated Property |
| Tfus | 260.73 | K | Joback Calculated Property |
| Vc | 0.436 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [257.77; 309.22] | J/mol×K | [543.10; 748.61] | 
|
| Cp,gas | 257.77 | J/mol×K | 543.10 | Joback Calculated Property |
| Cp,gas | 267.50 | J/mol×K | 577.35 | Joback Calculated Property |
| Cp,gas | 276.77 | J/mol×K | 611.60 | Joback Calculated Property |
| Cp,gas | 285.57 | J/mol×K | 645.85 | Joback Calculated Property |
| Cp,gas | 293.92 | J/mol×K | 680.10 | Joback Calculated Property |
| Cp,gas | 301.80 | J/mol×K | 714.36 | Joback Calculated Property |
| Cp,gas | 309.22 | J/mol×K | 748.61 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 374.50 ± 0.50 | K | 0.50 | NIST |
Similar Compounds
![1-Propanol, 3-[(2-hydroxyethyl)thio]-.](data:image/png;base64,iVBORw0KGgoAAAANSUhEUgAAAPoAAAD6CAIAAAAHjs1qAAANJ0lEQVR4nO3cf0zTdx7H8U+hUkEFVASZDpzgD8DdxGRxyqZYMMuIyWXTJjjcvM3su13MjNmZVLPzCLnL1mx6skvYpd6m65IlhowMvSUbwSwDlyimld+iUxAoCKUCIuVHW9r3/fH1kJ/SQUtx79cj/EG+bb+8Kc9+/fbTb1QQkQDgIcDfAwDMHuQOjCB3YAS5AyPIHRhB7sAIcgdGkDswgtyBEeQOjCB3YAS5AyPIHRhB7sAIcgdGkDswgtyBEeQOjCB3YAS5AyPIHRhB7sAIcgdGkDswgtyBEeQOjCB3YAS5AyPIHRhB7sAIcgdGkDswgtyBEeQOjCB3YAS5AyPIHRhB7sAIcgdGkDswgtyBEeQOjCB3YAS5AyPIHRhB7sAIcgdGkDswgtyBEeQOjCB3YAS5AyPIHRhB7sAIcgdGkDswgtyBEeQOjCB3YAS5AyPIHRhB7sAIcgdGkDswgtyBEeQOjCB3YAS5AyPIHRhB7sAIcgdGkDswgtyBEeQOjCB3YAS5AyPIHRhB7sAIcgdGkDswgtyBEeQOjCB3YAS5AyPIHRhB7sAIcgdGkDswgtyBEeQOjCB3YAS5AyPIHRhB7sAIcgdGkDswgtyBEeQOjCB3YAS5AyPIHRhB7sAIcgdGkDswgtyBEeQOjCB3YAS5AyPIHRhB7sAIcgdGlP4eAH4nSkpKCgsL7XZ7Wlraa6+9plAo/D3RRGhKx47R0aOjtpw4QQcOPPy+tpb27qXYWIqMpJQUMhim3iF4rLu7u7e3t7+/39+DPE5HR8f+/ftH9r158+aSkhJ/zzUBD05mzGZhNo/a0t4u7twRQoiaGrFli3C5xNmzoqhIvPqqeO89kZPj3RckT0T09ddfr127Nisra82aNadPnx4aGvL3UGPJQyYmJhoMBpVKdfz48by8vOjo6LKysu3bt+/cubOiosLfM4429Sti3z7Kyhq15cgRUquJiDIyKDV11E1ffklKJbW0eOvl6HVVVVVFRUUnT57s6ury9yyTqqqqSklJkf9AkZGR8jeJiYmFhYX+Hu2RysrKrVu3yrPt2LGjrq5O3t7X16fT6cLCwoQQAQEBGo2moaHBv6MOm0Hug4OkUo09e3E6SaWiM2e8OaOX9PX1ZWdnBwUFyX+JxYsX63S6uXaeMDykEGL58uUGg8Htdufn58fHx8thzYXzhJFDRkdHGyY6g713755Wq50/f74QIigoSJKkjo6O2R91DM9yDw+nDRsefUVEkFpNZjMJQeOf+vh4ysnxxawzUVhYGBMTI4QIDAzMzMxMTU2V64mJifnqq69cLpe/ByQiunDhQmxsrHxQlCSpp6dn+CaHw6HX65cvXy6PnZ6eXllZOdeGHK+pqUmSpMDAwDlyfPEs9507qaTk0VdmJqnV1NZGQlBR0dj7r1xJH33ki1mnp6WlZc+ePXIlycnJV65ckbcXFxdv2rRJ3p6QkJCfnz93hiwrK5vwbjabTafThYaGDp8nNDY2ztqQZrN59+7d8pCbNm2abMjxTCZTenq6/MCnn3665tw5Ghry6aiTmcHJjMtFYWH02WejburupsBA+u47IiKn02tjTovT6czNzV24cKEQIiwsLDc3d2j0syyfJ8TFxcl/iS1btpSWls7ykA6H4/FDjme1WrVarUqlEkKEhIRotdru7u5ZGzI8PNyTIceTjy+rVq4cVKkoIYH8cXyZ2VvVd9+lNWvIZnt007FjtHQp9fVRaSnFxJBe76/X8aVLlzZs2CB3vGvXLrPZPNk95fOEqKio4fOE6urq2RmytLTUwyHHa2xsfOONN+TlvyVLluh0uoGBAR8NmZSUJA+p0Wja29unvSuXy9X47bf0zDMkBAlB27bR//+xnR0zy91qpYQESkykTz+lL76gzEwKCiJ59eDNNx/+SsnJE5zw+FJXV9ehQ4cCAgKEEHFxcT/++KMnj+rt7dXpdIsWLRJCKJVKSZLu3r3ruyGdzo5bt96LilokhFi7du3Fixent5+rV6/u2LFj+DxBr9dP47g7mc7OTkmS5FdUfHx8kbf+jg4H6fUUFfWwkPR0mq3jiwe5nz07dqWloIBOnXr4fW8vnTpFu3dTRgYdPky1tQ+3u1yUn//odZyWRkajNwefiNvtNhgMy5YtE0LMmzdPq9X+1gNea2vrO++8o1QqhRB796a2tv5taOiB18e0Wv9TUbHEaBTff5+Wk5MzODg4wz0WFxdv3LhRjj4pKWnm70PkZzIiIkIIERwcnJ2dPfMhx+rtJZ2OFi0iIUipJEkiXx5fZB7kPhN2O+n1tGwZCUEKBWk0dOuWj37UyLXq1NTU4WXgaairq9uzZ/cPP8QYjaKiItJi+ZfbbffKkP39lTdubDUahdEobt7cMTAw/SHHcLlc+fn5q1evlp+BlJSUX375ZXq7Grmgrlarb9y44a0hJ9DRQYcOkVJJQlBICGm1dP++736aj3OXdXWRVkvBwSQEzZtHkkRtbV7c/fi1aq/s1ma7cvPmdjnNqqoYq1VPNP31Sperr7U122QKMhpFZWX0vXs+udrCbrfr9Xr5kymFQqHRaG79luOLJwvqPnHjBmk0pFCQELR0Kel0JP9j0tBAb71Fq1dTZCRt3kx5eeR2ExEdOEAnTozaw9GjdOzYlD9nVnKXtbSQJFFgIAlBCxaQVkuPXbL10Jhl4PvePjb09BTX1v5Bjr62dsP9+/+dxk7u379QVRVrNAqjMaCxURoa8sIv/hgPHjzIzs4ODg6WT+okSWrz4Phy4cIF+aMJTxbUfaKsjFJTSQgKDqbmZmpqoshIevllKi6migrKy6PQUDp4kIhIraYjR0Y9NiuL9u2b8ifMYu6ymhratUs+obc/99znn3/ucDimtycP16q9wdXVlV9VtUqO/tdf0/v6TB4+0uFoqa/fLT/w+vVkm813Q47V0tIiSZL8PmTBggVarXayghsaGjIyMoYX1K9evTprQ07g/HnKyyMi2r+fnn2WRn4CeP48CUE1NU9O7rLLl+mll7548UUhxKpVq+SPyj1/9JQL6r7gdtstltzy8nCjURiNivp6zeDg7eFb+/srWlqO3rnzVmvrX/v6jETkdjssltxr1xYajaK8PNxiyXW7/bAmW1dXp9Fo5JQjIiJ0Ot3IN51eWVD3lYgIOnly1Ba3m6Ki6JNPnrTcicjt/q6gYN26dcOXgvz888+ePG4ma9Uz53R2ms1/uXZtvtEoTCZVc/Nhp/PegwcXTSblnTt/am//pKnpz62t2XZ7c01NonxQb2jIcji8+V5lGi5fvrxt2zb5SYuNjZWPLyUlJd5aUPe+gQESggoKxm5/4QV6/31SqykiYtSFLeHhczt3IiJyuVwGg+Gpp54a/oinvLx8sjt3dnYOL6jHx8d7uKDuC3a7ubFRMpkCTaZ5g4O36us19fWakXdwu4euX0+uro7v6ZnVzxwew+12F4w4vqxYsUJeUF+/fv1PP/3k7+nGcTpJoaBvvhm7feNG+uADUqspM3PUhS07dz4BucumvGR05IJ6UFDQNBbUfaG/v9JqPU1Et2//sa7uBZdr1Eh2e5Pb7e216hkbPr6kpaX5akHdW+Li6PjxUVsGBig0lE6ffgJPZsYZf8moxWKhya+rnjt6e0uuXVtYXf3M3bs5dnuzv8eZms1ms1qtnizX+NOHH1JUFHV2Ptpy8iQFB5PF8nvIXdbQ0PD666/LZyyLFy9Wq9Xy2kJ0dPS5c+f8Pd2k7Pamu3f/XlOz3mQKlA/5MFM2Gz3/PK1aRR9/TGfO0Ntvk1JJZ88SPUELkZ6pqamR1xOSkpL8tgw8He7m5sPl5aF+WYT5HRoYoH//mzQaeuUVOnjw0XUop06NfRd75szDV8JjKYhIzFXFxcWxsbE2m234wvS5r6fnh9u3dyUn9wYEhPh7FhhrTuf+pLBY/qlSrQ4J2TQ0ZDWbDwkRsG7dJX8PBRPA/zPjFa62tn/Y7b8qFMGhoeoVKz719zwwMRzdgRH8p3nACHIHRpA7MILcgRHkDowgd2AEuQMjyB0YQe7ACHIHRpA7MILcgRHkDowgd2AEuQMjyB0YQe7ACHIHRpA7MILcgRHkDowgd2AEuQMjyB0YQe7ACHIHRpA7MILcgRHkDowgd2AEuQMjyB0YQe7ACHIHRpA7MILcgRHkDowgd2AEuQMjyB0YQe7ACHIHRpA7MILcgRHkDowgd2AEuQMjyB0YQe7ACHIHRpA7MILcgRHkDowgd2AEuQMjyB0YQe7ACHIHRpA7MILcgRHkDowgd2AEuQMjyB0YQe7ACHIHRpA7MILcgRHkDowgd2AEuQMjyB0YQe7ACHIHRpA7MILcgRHkDowgd2AEuQMjyB0YQe7ACHIHRpA7MILcgRHkDowgd2AEuQMjyB0YQe7ACHIHRpA7MILcgRHkDowgd2AEuQMjyB0YQe7ACHIHRpA7MILcgRHkDowgd2AEuQMjyB0YQe7ACHIHRpA7MILcgRHkDowgd2AEuQMjyB0Y+R8ku5yZMWyq2wAAAABJRU5ErkJggg==)
![Ethanol, 2,2'-[1,4-butanediylbis(thio)]bis-.](data:image/png;base64,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)
Find more compounds similar to 1,3-Bis(methylthio)-2-propanol.
Sources
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