- InChI
- InChI=1S/C12H18O3/c1-10(2)7(13)11(3,4)9(15)12(5,6)8(10)14/h1-6H3
- InChI Key
- DXLKLICKNIROHG-UHFFFAOYSA-N
- Formula
- C12H18O3
- SMILES
-
CC1(C)C(=O)C(C)(C)C(=O)C(C)(C)
C1=O - Molecular Weight1
- 210.27
- CAS
- 778-18-7
- Other Names
-
- 2,2,4,4,6,6-Hexamethyl-1,3,5-cyclohexanetrione
- 2,2,4,4,6,6-Hexamethylcyclohexane-1,3,5-trione
- 1,3,5-Cyclohexanetrione, 2,2,4,4,6,6-hexamethyl-
- 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).
- 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° | -325.05 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -644.75 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 0.45 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.41 | kJ/mol | Joback Calculated Property |
| log10WS | -1.86 | Crippen Calculated Property | |
| logPoct/wat | 1.786 | Crippen Calculated Property | |
| McVol | 173.790 | ml/mol | McGowan Calculated Property |
| Pc | 2522.65 | kPa | Joback Calculated Property |
| Tboil | 688.35 | K | Joback Calculated Property |
| Tc | 947.17 | K | Joback Calculated Property |
| Tfus | 500.26 | K | Joback Calculated Property |
| Vc | 0.653 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [502.31; 627.08] | J/mol×K | [688.35; 947.17] | 
|
| Cp,gas | 502.31 | J/mol×K | 688.35 | Joback Calculated Property |
| Cp,gas | 522.65 | J/mol×K | 731.49 | Joback Calculated Property |
| Cp,gas | 542.76 | J/mol×K | 774.62 | Joback Calculated Property |
| Cp,gas | 562.94 | J/mol×K | 817.76 | Joback Calculated Property |
| Cp,gas | 583.52 | J/mol×K | 860.89 | Joback Calculated Property |
| Cp,gas | 604.80 | J/mol×K | 904.03 | Joback Calculated Property |
| Cp,gas | 627.08 | J/mol×K | 947.17 | Joback Calculated Property |
Similar Compounds
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erTMPPfQQgBkzZmg7LAcql3W3UbvR5KJFi1z4LFc49Zt22KGmeP1aV9x2Gw/bph2LFy9WOZTa3G2bNDl1pY5wem9o4VrxurbOuOMmTezaRDVbMtlosEm8223Bt2PHDui/oYWzxXNoXamyVclXX32l31E0pMmGezYa5K78vcHqrFmzNBlNV+Xl5aGhoQBWrlyp97EcL55P68yKFSsAhISEuMUGqzNnzoTq7VRttMndjbbPZptld+jQgc+GFo4Uz7N1RVHMZrO7bJ9t2yxbq2+NapO7oihTpkxx/Buyoly4cMHf35/z54v2i+fcOrNv3z71nyVzMHDgQABTp07VakDNci8oKGAnhbt27dJqTM1NnDgRwLBhwzgf99+KF9I6M3ToUACTJk3ifFzH7dy5U/OXWJrlrijKsmXL4NjqNkKkpqayawNPnTrF/+g3Fy+wdUVRMjMz2XWgP//8M/+j16i8vJyt57V8+XINh9Uyd7PZHBYWBuDtt9/WcFhN2Da0mDt3rqg5VC1ebOvMCy+84MJV/nwsXboUQPv27bV9iaVl7oqi7N27l50Unj9/XtuRVdq4cSP+XhhM4DRsxXt4eACIjY0VOBnbd7g2bdokcBo3y8/PZy+xvv32W21H1jh3RVEGDRoEYPLkyZqP7LKSkpJWrVoBWLdunZAJXLp0KS4uji0aHhsbGxgY2KhRI/a8Hh8fHxcXJ2pL648++ghAcHCwI9/Q5SY6OhrA4MGDNR9Z+9wzMjLYSaFx1olmz6nh4eGivn6VkpLCFgVg/zc/Pz8/P5/974iICAApKSlCJmaxWLp37y7870xVR48e9fDwqFu37smTJzUfXPvcFUV5/vnnAfTq1csIJ4W5ublsYbCEhARRc7gh96rE5q4oSlJSEltdJycnR9QcqurTpw+A2bNn6zG4LrkXFhYaZx3aqKgoAGPHjhU4ByPnrijKmDFjAIwZM0bgHBjb2stXr17VY3xdclcMsw6tQZ66DJ67Ef4AKtWtvay5GnbvcFl0dHS3bt1yc3PfeecdnQ5RI6vVOnPmTEVRYmJi2EtVUq3g4OA5c+YAmDVrltVqFTWNpUuX5uTkdOnSZdKkSTodwqQoik5DJyQk9O3b19vbu0ePHuw9Zs4uXbp07NixFi1anDx50tfXl/8EbI4cOdKtW7eIiIgjR47ccFfXrl1TU1NTUlK6du0qZG5MSUlJ+/btc3NzO3XqxDaf46yysjI5Obm8vPzAgQPs9F0POlbYp0+fRYsWJSYm7tmzR7+j2Ddjxoz+/fuLbd0t+Pr6rl69et++fez7u0IMHDiwd+/e+rUOXXMHMH/+/PT0dPaHUojOnTsLea5yR0OHDo2MjGSr7ggRFBTEPpXXj+7nGGFhYXr/NxCtNG7cuF+/fqJnoSO9XqoSYkCUO5EI5U4kQrkTiVDuRCKUO5EI5U4kIuCzfQn51KkT2axZSGDgzXd1DAz0btbMpw497/BAufMQZrUePHcOQUE33/V/V67g3DmIuzBLKvSkQiRCuROJUO5EIpQ7kQjlTiRCuROJUO5EIpQ7kQjlTiRCuROJUO5EIpQ7kQjlTiRCuROJUO5EIpQ7kYiOS6KSf5SVITMT9eohJOTGu7KyUFqKtm3h4yNiZnKh3PkqLUVSEjIyACA0FL16UeU80Zf3OIqPx/TpuHgRDRoAQFERmjbF6tUYNUr0zGRB5+687NqFMWPQrh3S0lBYiMJCHD2K1q0RFYVvvhE9OVnQyQwXVitCQ2E2Iz0d9ev/c3thITp2hJ8fTp4ELUagP/on5iI1FVlZmDjxf1oH4O+PJ59ERgaOHhU0M7lQ7lwcOwYA7dpVc1fHjgDw669c5yMryp2LwkIA1a4zg2bN/nkA0RnlzgXbHOrKlWruKigAAD8/rvORFeXOxR13AMDp09XclZ0NAKGhXOcjK3pnhovSUjRvjnbtcPAgTKZ/blcUdO+OnBzk5dHnTRzQszsX9ephzhz89BMWLIDF8teNFgteeglHjuDFF6l1PujZnReLBU8/jY8/Rps26N0bABITkZ2Np59GXBw8PETPTwqUO18//ID4eGRlAUBICKKi/kqfcEG5E4nQuTuRCOVOJEK5E4lQ7kQilDuRCOVOJEK5E4lQ7kQilDuRCOVOJEK5E4lQ7kQilDuRCOVOJEK5E4lQ7kQilDuRCOVOJEK5E4lQ7kQilDuRCOVOJEK5E4lQ7kQilDuRCOVOJEK5E4lQ7kQilDuRCOVOJEK5E4lQ7kQilDuRCOVOJEK5E4lQ7kQilDuRCOVOJEK5E4lQ7kQilDuRCOVOJEK5E4lQ7kQilDuRCOVOJPL/tuy/TfoovRYAAAAASUVORK5CYII=)
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Sources
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