- InChI
- InChI=1S/C5H6O3/c1-3-4(2)8-5(6)7-3/h1-2H3
- InChI Key
- QYIOFABFKUOIBV-UHFFFAOYSA-N
- Formula
- C5H6O3
- SMILES
- Cc1oc(=O)oc1C
- Molecular Weight1
- 114.10
- CAS
- 37830-90-3
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation 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 | 0.4206 | Relay (1.0) Calculated Property | |
| ΔfG° | -315.38 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -533.63 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 49.01 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.10 | eV | NIST |
| log10WS | -0.70 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.850 | Crippen Calculated Property | |
| McVol | 79.460 | ml/mol | McGowan Calculated Property |
| Pc | 4596.31 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 457.75 | K | Relay (1.0) Calculated Property |
| Tc | 578.73 | K | Relay (1.0) Calculated Property |
| Tfus | 275.27 | K | Relay (1.0) Calculated Property |
| Vc | 0.308 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
![2,3,6-Trimethyl-benzo-[b]-furan.](data:image/png;base64,iVBORw0KGgoAAAANSUhEUgAAAPoAAAD6CAIAAAAHjs1qAAAa2klEQVR4nO3deVRTVx4H8F9IQGSRzeLojHtdQGGA2FqHMmrFWjXjsbYprdpal6JHK9paJzNzdDwzOnUZj6Vq55QWqUsrGplRsYXhYLUWiyi4UBXHBeuCrApISCCQ5M4f18mkZGFL3pL7+/zF8T2Sn+F7bu597757JYQQQIgNHnwXgBB3MO6IIRh3xBCMO2IIxh0xBOOOGIJxRwzBuCOGYNwRQzDuiCEYd8QQjDtiCMYdMQTjjhiCcUcMwbgjhmDcEUMw7oghGHfEEIw7YgjGHTEE444YgnFHDMG4I4Zg3BFDMO6IIRh3xBCMO2IIxh0xBOOOGIJxRwzBuCOGYNwRQzDuiCEYd8QQjDtiCMYdMQTjjhiCcUcMwbgjhmDcEUMw7oghGHfEEIw7YgjGHTEE444YgnFHDMG4I4Zg3BFDMO6IIRh3xBCMO2IIxh0xBOOOGIJxRwzBuCOGYNwRQzDuiCEYd8QQjDtiCMYdMQTjjhiCcUcMwbgjhmDcEUMw7oghGHfEEIw7cqHq6mq+S/gZjDtylbq6usjIyISEhMbGRr5reQLjjlxFpVJVVVVVVFT4+vryXcsTEkII3zUgN1RQUBAbGyuTyS5evBgeHs53OU9g646cr6WlZeHChSaT6Y9//KNwsg4Yd+QKW7ZsKSkpGTZs2B/+8Ae+a/kZ7MwgJ7t582ZkZKRer8/NzZ00aRLf5fwMtu7IyZYuXdrc3Pz2228LLeuArTtyrr17986bNy8kJOTatWtPPfUU3+W0ha17FxkMhsePH/NdhbA8evRo9erVAPDRRx8JMOuAce+s6urqQ4cOvfXWW6GhocuXL581a5Zw7qHw7oMPPqiurp4wYcLcuXP5rsU27My0r7W1NT8/Pzs7+9///ndxcbH53wMCAh4/fhwbG/vNN98EBATwWKEQnDp1auLEiV5eXsXFxSNGjOC7HDsIsqOysnLPnj1KpTIwMND8cfn4+MTHxycnJ9+5c+enn34aMmQIAMTExDx8+JDvevnU3NwcFhYGABs2bOC7Fkcw7j9jMBiKiorWrVsnl8slEok55UOGDElMTMzMzGxubrY8/+7du08//TQAREVFVVdX81U27/785z8DwIgRI9p8PkKDcSfEoiG37JNYNuQOfreiomLUqFEAMHLkyAcPHnBWs3Bcv37d29tbIpHk5eXxXUs72I17a2trXl6eSqWybsiTkpJyc3M73lBVVVVFREQAwPDhw+/fv+/SsoXGZDK98MILAJCYmMh3Le1jLu4//fRTSkpKm4bc19dXoVCkpKTcvXu3ay9bW1v7zDPPAMCgQYNKS0udW7OQff755wDQp0+f2tpavmtpHxNxt2zILYfp5oZcr9d3/13q6uqee+45ABgwYMDNmze7/4LCV1NT07t3bwBIT0/nu5YOcee43759mzbkvXr1sm7I79275/R31Gg0EyZMAIBf/OIXV65ccfrrC83s2bMBYMqUKXwX0lHuFvempqbc3Fzrhjw8PFylUjmrIXegsbGRzhUJDQ398ccfXfpe/Dpx4oREIunZs6eIOm9uEvfS0lLakPv7+5sj7ufnRxtyVwwfW1pajEajzUNarfbFF18EgKCgoHPnzjn9rYVAp9MNHToUADZv3sx3LZ0g7riXlJQsX7582LBh5oh7eHjI5fI1a9acPn3aYDC46H0NBkNCQsIbb7zR2tpq8wS9Xj9z5kwACAwMPHPmjIvK4BGdyB4REdHS0sJ3LZ0g4riXlpa+9957NOXBwcFKpTIlJaWsrIyDt758+TL9GklISLD399br9a+88gr9kjl58iQHVXHm8uXLnp6eHh4e+fn5fNfSOSKO+7Zt2wAgOjr6zJkzrmvI7SksLAwODgYAhULR1NRk8xyDwfDmm2/S8fHx48c5rtBFjEZjbGwsACxbtozvWjpNxHGfMWMGAOzdu5evAs6fP08vw02dOlWn09k8x2AwzJ8/n96jzcnJ4bhCV/jHP/4BAH379q2rq+O7lk4Ta9yNRmNQUBAAdPnGkFNcvXq1b9++ADB+/HiNRmPzHJPJ9O677wKAl5fX4cOHuS3QySoqKujHnpGRwXctXSHWuJ8/fx4Ahg4dynch5Nq1a/369QOAuLi4x48f2zzHZDKtXLmSJl6kQaGUSiX9NuO7kC4Sa9y3bt0KAIsWLeK7EEIIuX79+q9+9SsAGDNmzKNHj+ydtmbNGgCQSqU8dsC6Izs7m/bKbt++zXctXSTWuCsUCgDYt28f34U8cefOHXodOiYmpqamxt5pmzZtoolPS0vjsrzu02q1dHL/tm3b+K6l60QZd4PBQB+54Lfj3sa9e/foHYDw8PDy8nJ7p9HESySSHTt2cFleN61atQoAfv3rX9u71SAKoox7YWEhAAwbNsz6UFNTk8lk4r4kqqKiYvTo0e3Ofd+6datEIpFIJB999BGH1XVdcXGxp6enVCotKiriu5ZuEWXc//73vwPAO++8Y31o/fr1oaGhqamp3FdFVVVVRUZGtjv3/dNPP/Xw8ACA9evXc1leFxiNxnHjxgHAe++9x3ct3SXKuE+fPh0AvvrqK+tDdHrWP//5T+6rMqutrX322WcBYODAgbdu3bJ32ueff04Tr1KpuCyvsz7++GMA6N+/f0NDA9+1dJf44m7uuFvPF9Dr9T4+PhKJxMFgkRvmue/9+/e/ceOGvdP2798vk8mEnPjy8nL6HMyRI0f4rsUJxBf3c+fO0a6C9aFTp04BQGRkJPdVWWtsbJw4cSKd+3758mV7px08eNDT0xMAVq1axeOowx460e2VV17huxDnEF/cN2/ebO/JyL/85S8AsGLFCs6Lsk2r1cbHx9O578XFxfZOO3bsmLe3NwAsWbLE3qRiXnz99dcA0KtXL7d5AFd8cZ82bRoA7N+/3/oQbU0FdaO+ubn5d7/7HZ37fvbsWXunZWVl9ezZk944E0jiGxoa6L2znTt38l2L04hsFTGDwRASEtLQ0PDgwQN6695Mr9cHBQXp9frq6uqQkBC+KrTW0tKSkJBw5MiRwMDA7Oxs2qe3durUKYVC0djY+MYbb+zdu5f26V2ksbGxtra2rq6urq7O3g/379+vrq6Wy+Vnz56lQ2o34MLP1BXOnz/f0NAwYsSINlkHgIKCgqampqioKEFlHQC8vLzUavXs2bMzMjLi4+OPHTtGv4XaGD9+fFZW1vTp09PT041G45dffkn79B3X1NRUV1dXUVFRXl5eZ19tba1er+9g5WPHjnWbrIPo4v7dd98BgM240EP0yWih8fT0PHDgwIIFC/bu3atQKI4ePUr79G3ExcWdOHFiypQparVap9MdPHhQp9PZbICt/1Gn03W8Hj8/v6CgoODg4KCgIHs/lJSUzJs3LzMz8+OPP5ZKpc77MPgkyriPHz/e3iFhxh3+N09GJpOlpaUpFIpDhw7RPn0bY8aMycnJmTJlSlZWVqc2rOvRo0e7CTb/0JHvDblcvmHDhps3b+bk5NDxkhsQU9/dYDAEBwdrNBqbHffAwMCWlhahddzbIISsWLFix44dXl5eBw8epJf5rO3YsWPlypWEkJCQkHbjS3/28fFxerVbtmxRqVQzZsw4evSo01+cH/yOlDvlzJkzABAWFmZ96OTJkwAQHR3NfVWdRee+e3h4fPnll/bOofOx1q5dy2Vh1mpqanr06CGVSgU1Fa87xDQKcdBdcdCnFxo6M6ygoGDOnDn2zhFIx6x3794zZ840Go1ffPEFv5U4i5vEnbbuNvv0wkQXlLTp8ePHly5d8vLysnfJkkuJiYkAkJqaajQa+a7FGfj+eumo1tZWf39/iURSWVnZ5lBTU5O3t7dUKhXFqpztyszMBIDf/va3fBdCCCEmk2n48OEAkJmZyXctTiCa1r2wsFCj0YSFhfXp06fNofz8/Obm5qioKPrUsNgJpCdDSSSSd955BwA+++wzvmtxAtHEnXZXRHfFvQt4+e9UVVUtX778tddesz40f/58b2/vrKysu3fvclmSK4gm7nS2oxivuHdKfX19cXFxjx49OO64e3t7p6WlZWRk3Lx5s82hkJCQl19+2WQypaWlcVmSS/Ddm+qQlpYWX19fmx13nU5HL5aJcZUfa0eOHAGA8ePHc//Wb7/9NtiZeU8blL59+4prRUhr4mjdz507p9VqR40aZbPjrtfro6OjLffHEy/6JcbLNxW9CLNr1y7rGTXjx48PDw+vqKjIysrivjAnEkfc273i7h49GfjfEIWX/864ceOioqIePnxo8x7qwoULASAlJYXzupwJ4y4gtbW1P/74o7e399ixY3kpYNGiRWDnIsy8efO8vb1zcnLu3LnDdVlOxHdvqn16vZ523Kuqqtoc0mq17tRxP3z4MABMnDiRrwLq6+vpR339+nXro/Q28Jo1a7gvzFlE0LrTjvvo0aNDQ0PbHPrhhx/0er1cLnePjruD+Z7cCAgISEhIIISkpqZaH128eDEApKamtra2cl6ac4gg7g66KzwO7FxBCDN/6ID1iy++sB6wxsXFjRo1qrKykj7DKkbijjuPAzunq62tvXz5sre3N12jhi9jx46Njo5++PAh7Vm1QTv3Ih6w8t2baoeDpWO0Wq2Xl5dMJrO3zLS4/Otf/wKAF154ge9CnmxYYHMIUVdXR/8cIt04Vuit+9mzZ3U6XUREBN0nw9Lp06dbWlrkcrnltqniJZxLTHPnzvX39z958uS1a9faHAoMDKRrzoh0SrDQ445TZbjn7++fkJAAALt27bI+SgesaWlpYhywCj3uDi5WRERETJs2je5gKnaPHj26cuWKj48Pvx13M5rp3bt3Nzc3tzkUGxs7evToyspKOlFZZPjuTTnS3Nzcs2dPDw8P3td8dLWMjAwAiI+P57uQ/4uJiQE7685u374dACZPnsx9Vd0k6NadLh0TGRlp3XF3Mw7me/KFXpG0eRHmrbfe8vHxOX78uPX0SYETdNy//fZbEEZ31tUcDFH4MmfOnF69en3//fclJSVtDgUEBCiVSkKIzc69kAkx7rdv3/7ss89ee+21LVu2+Pj4uGJJCUGpqam5evWqj4+PgwdYuefn5/f6668DgIM7rDanTwoa372pJ3Q6XVZWVlJSEt3eiJJIJCD+zRnbdejQIRBkV/jSpUsAEBgYqNVqrY9GRUUBgFqt5r6wLuM57qWlpSkpKUql0t/f35zy4OBgpVKZkpJSVla2du1aAJBKpXv27OG3VNdZtmwZAPztb3/juxAbxowZA3Z2ONy5cycATJo0ifuquoyHuOt0utzcXJVKFR4ebvk9Ex4erlKpcnNz2zwyY96ccdeuXdxXy4FRo0YBwA8//MB3ITbQycDPP/+89SHH0yeFibu404ZcoVDQpfupkJAQ2pA72KeO/G8LA4lEsn37ds4K5kZ1dbVEIvHx8dHr9XzXYoNGo6E3rW1uQLJgwQIAWL16NfeFdY1r467VamlDHhYWZo64h4eHXC6nDXnHN+n85JNPxLU5Ywep1WoAePHFF/kuxK4lS5aAnT1RCgoKAKB3797Nzc2c19UVLom7uSHv0aOHOeW9e/emDbmDLXYdS0lJoWuN//Wvf3VuwTxaunQpAHz44Yd8F2JXcXGxgwFrdHQ0AKSnp3NfWBc4Le60IU9KSho4cKB1Q56Xl+eUPVhSU1NFsTljx9EBTH5+Pt+FOEKnNti8WuBg+qQAdTfujhvyiooKp1RpKT09nW7k8vvf/97pL86xqqoqiUTi5+cn8AUt6O2k3/zmN9aHGhoa6FW1kpIS7gvrrK7E3WZDLpVKnduQO6BWq+mC/EuXLhXg5owdd+DAAQB46aWX+C6kHTqdjj4eefHiReuj9JmPVatWcV5Xp3Ui7qWlpcnJyfHx8ZYN+VNPPaVUKvfs2cPxcqRff/01vcKzePFigWxV1wV0FLhx40a+C2kfHWO8++671ofoTrchISFNTU3cF9Yp7cf92LFjixYtonsOUjKZLC4u7sMPP7xw4QKPjWt2djbdnHHhwoXCTHx5ebn11t6WRo4cCQAFBQWcldRlxcXFUVFRu3fvtnnUwfRJQWk/7uZ9eUJDQ3lpyB347rvv/Pz8AOD111/v+DVNlzIYDEVFRevWrZPL5RKJ5P3337d3plg67h3x6aefAk9r/XVK+3E/fPjwxo0bL126JMxecl5eHr0PolQqecxNWVlZamrqq6++arkEiK+vb1JSkr1fSU9PB4CpU6dyWaeLaDQaOmBNTk4W8sMJQpki1h2FhYXBwcEAMH36dC67j20acnPKhwwZkpiYmJmZ6fjmC51UuHnzZs4Kdp3Tp0/7+fkNGjTI8hNQq9VCi747xJ0QcuHCBfoIyEsvvaTT6Vz6XpWVlXv27FEqlZYNuY+PT3x8fHJy8p07dzr4OiNGjAAABzvHi0VqaqqXlxcAREVFTZo0yXLCtoeHR2Rk5IoVKw4fPvzo0SO+K3WXuBNCrl692rdvX9qD1Gg0zn3xbjbk1srLywHA399fIEOOrjEYDCqVin4USUlJBoOBENLa2lpUVLRp0yaFQtFmkQhzq//w4UNeCnafuBNCrl279stf/hIAnn/+eacsPmNuyAMCArrTkFv76quvAGDatGndL5IvGo1mxowZAODl5ZWWlmbzHHP04+Pj6WU0c6sfHh5Oo89lq+9WcSeE3L59e/DgwQAwZsyYrn2Ora2teXl5KpXKuiFPSkrKzc3t5nSo+vr6jIwMegnS5rwrUbh//z6dLRMSEnLy5MmO/Ipl9C1nxVpG39UX/dwt7oSQO3fuDB06FABiYmI6PlSqqKiwbsh9fX1pQ979fXTNN+loNxcAAgMDPTw8EhMTGxoauvniHMvPz6f7SgwfPrxrk93tRV8qlbo0+m4Yd0LIvXv36EOA4eHhHZyAGRERYd2Qd3MOel1dnVqtXrBgAR1UUJ6enhMmTFi/fv2iRYvo5J8BAwaIaBvH/fv304BOmTKlvr6++y/Y0tJiL/pyuTwpKUmtVjtrQXP3jDshpLKycvTo0QAwcuRIx7c2qQ0bNrz66qu7du1y/KBJR1y5coX+8cwNOQD06dPnzTffbPOXu3TpknnnAoVCce/evW6+tUuZTKZ169bRahMTE10xyNbpdHl5efTTs5yr4qzou23cCSFVVVWRkZEAMGzYMFcnSaPRZGZmJiYmWs62oH+kdevWFRUV2btJZzQaU1JS6BWMgICA5ORken1DaDQazcyZMwFAJpPt3LmTg3fUarXtRr+zXy/uHHdCSG1tLZ2rPXDgwFu3bjn99c0NOZ2h2aYh7/gfo7y8XKlU0l+PiYkpLCx0eqndUVZWJpfLASA4OPjbb7/lvgA6CXfdunVtvjPN83AzMzM7ci3OzeNOCKmvrx83bhwA9O/f/8aNG91/wYcPH6rV6sTERHrRk5LJZLGxsZs2bXLQkLcrMzNzwIAB9NWSkpKcfvegayrOnqUD07CwMCGsc63RaLKzs1Uq1dixY+ngh4qLi2v3d90/7oSQxsZGukBXnz59bD5i3C6j0WgeTlk25IMGDaKXEZwyaCOEaLValUollUoBYPDgwVlZWU552a47cID07LkvLm7y5MkC3ACroaHhm2++Wb169bPPPrt27dp2z2ci7oQQrVYbHx8PAKGhocXFxR38LXND3q9fP5sNuYuqvXDhgnlFMYVCcf/+fRe9kSNGI/nTn4hEQgAMK1eK+u6vGStxJ4Q0NzfTu4BBQUEOZqpYNuSW35WDBw+mDTk3m4W0trZu3brV19eXFnx0927C5YzUxkYyaxYBIDIZcaPFThiKOyFEr9e//PLL9BpIm6eha2pqaENueY3c29s7Pj7epQ25Y2VlZbNmzZLJZJeGDyexseTKFS7e9cEDMmYMASBBQeT4cS7ekStsxZ0Q0traSvcH9fX1PX78OG3IY2Nj6QIHlHkmk0Dud14+coT07UsAiJcXWbOGuHSS84ULpH9/AkCefppcu+bCN+IDc3EnFomnT0JRPXv2nDp16vbt251y9cb56utJUhKRSgkAGTqU5OS45F3UauLjQwBIXBwR2FR1p2Ax7oQQg8HwwQcfvP/+++aGXCBX/dpx/jyJiSEABIAolcRqG/GuM5nIpk10YEoSE4n4nye0idG4U8K8f9mO1laSnEx8fZ/0rVNSnDCEbWoic+YQACKVkk2bnFGlQDEddxErLSVTpjxp5uPiSHeWNHrwgDzzDAEg/v7k2DHnlShEGHcxU6tJaCgBIJ6eRKUiXZiIf/EiGTDgyXhADMuAdRPGXeTq6khSEvHweHItpVPXDQsLnwxMJ04kAniQlAMSQgggsTt9GhYvhpISkEhg7lzYtg3oXoUGA+zbBxkZUFoKRiP07w/Tp8OSJeDrCwBgNMKMGdCvH3zyCVjMu3JjGHd3odfDpk2wcSO0tMCpUxAXBxoNKBTw/fcgl8OECSCTQVERnDgBQ4dCbi7QRTL0erCYW+v++P56QU71n/8Q83YP8+cTAJKc/LMTjh4lMhl57jlOpyQIBrbubqqsDAYNgsmTITu77aEVK2D7dsjNhfh4PirjkxD3VUVOcPw4GI0wa5aNQ/Q5kpwcjisSAoy7m7p1CwDAYgH+/xs8+P8nMAbj7qaamwEAgoNtHAoJAQDQ6TitRxgw7m6KrlZXUWHjUHk5AIDFApfswLi7qdGjAez0WG7cAACwWFeHHRh3NzVpEvj5wb59YDK1PZSWBgAwcybnNfEP4+6mAgJg9Wq4eBGWLoWmpif/aDLB5s1w6BDMnv2k+WcMXnd3X0YjLFsGKSnQuzc89xzIZHDhAty7B1OngloNFo+2sAPj7u4KCkCthps3wWiEgQNhxgyYOpXvmniDcUcMwb47YgjGHTEE444YgnFHDMG4I4Zg3BFDMO6IIRh3xBCMO2IIxh0xBOOOGIJxRwzBuCOGYNwRQzDuiCEYd8QQjDtiCMYdMQTjjhiCcUcMwbgjhmDcEUMw7oghGHfEEIw7YgjGHTEE444YgnFHDMG4I4Zg3BFDMO6IIRh3xBCMO2IIxh0xBOOOGIJxRwzBuCOGYNwRQzDuiCEYd8QQjDtiCMYdMQTjjhiCcUcMwbgjhmDcEUMw7oghGHfEEIw7YgjGHTEE444YgnFHDMG4I4Zg3BFDMO6IIRh3xBCMO2IIxh0xBOOOGIJxRwzBuCOGYNwRQzDuiCEYd8QQjDtiCMYdMQTjjhiCcUcM+S8YOgGhWh+36AAAAABJRU5ErkJggg==)
Find more compounds similar to 1,3-Dioxol-2-one,4,5-dimethyl-.
Sources
- Cheméo Relay (1.0)
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- Crippen Method
- Crippen Method
- McGowan Method
- NIST Webbook
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