- InChI
- InChI=1S/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4-5,13,15,17-19,22-23H,6-12H2,1-3H3/t13-,15-,17?,18?,19?,20?,21?/m1/s1
- InChI Key
- DOMUDBZFBQTRCJ-AQADCPELSA-N
- Formula
- C21H32O2
- SMILES
-
CC(O)C1CCC2C3=CC=C4CC(O)CCC4(C
)C3CCC21C - Molecular Weight1
- 316.48
- 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).
- Inp : Non-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 | 0.6602 | Relay (... Calculated Property | |
| ΔfG° | 46.62 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -433.84 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 28.05 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 141.06 | kJ/mol | Relay (... Calculated Property |
| IE | 7.94 | eV | Relay (... Calculated Property |
| log10WS | -4.20 | Relay (... Calculated Property | |
| logPoct/wat | 4.227 | Crippen Calculated Property | |
| McVol | 266.450 | ml/mol | McGowan Calculated Property |
| Pc | 1840.41 | kPa | Joback Calculated Property |
| Inp | 2876.00 | NIST | |
| Tboil | 647.05 | K | Relay (... Calculated Property |
| Tc | 938.53 | K | Relay (... Calculated Property |
| Tfus | 424.20 | K | Relay (... Calculated Property |
| Vc | 0.956 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [969.32; 1126.38] | J/mol×K | [911.53; 1130.77] | 
|
| Cp,gas | 969.32 | J/mol×K | 911.53 | Joback Calculated Property |
| Cp,gas | 993.00 | J/mol×K | 948.07 | Joback Calculated Property |
| Cp,gas | 1017.28 | J/mol×K | 984.61 | Joback Calculated Property |
| Cp,gas | 1042.47 | J/mol×K | 1021.15 | Joback Calculated Property |
| Cp,gas | 1068.85 | J/mol×K | 1057.69 | Joback Calculated Property |
| Cp,gas | 1096.72 | J/mol×K | 1094.23 | Joback Calculated Property |
| Cp,gas | 1126.38 | J/mol×K | 1130.77 | Joback Calculated Property |
Similar Compounds
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a2tpcd7APDz8/vggw+sOJiUlBQAKCgosEx3tIxhTk6OQO0fOnToRY8Zo8V7ue+WsLAwlUpl3WPNIBwn7pwrV65IJBKxWNx3td7C6CaV4U55R4xWMjx06JBwXdTV1c2dOxee3cDT29tbVFTUd94ycC3fBjlg3MmztFnrxgxCyNixYwHA9CtBZqJzufLyckF76enpeeutt+jEhrvG5+3tvWXLlpqaGkG75ost3gBsPhp3a91C3N3d3dLSIpFIBC1B1Zdl7qqVSCSffvrp4cOHPTw8ZDJZcHCwSqWqr6/fuXNnUFCQoF3zxdJF+iyDrzvm1Wq1VCp99dVXh/UpurQ8efJk7qqwoCy8tzo5OVksFjc1NT18+JBO6O2IYx7deYl7S0tLVlbWa6+9tmjRosrKStM/aK39QcLtre7s7OQ2dD969Kitrc3T09Pusg6OGvfo6GiZTKbRaLRa7YgbGTNmTE5OztixY0+fPj1jxowNGzY8ePDAlA86XtmWL774QiaTbd26FaxaNsN8jhl3FxeXmJgYQog5+7tFIlFGRsbNmzfpFfXdu3eHhYXl5OQYjcbBP+h4ca+vryeE0MO5dTebmskx4w781avx9vbOycm5du3a0qVLHzx4kJWVlZCQQG+JeRHHK7nYN+IYd1vE7/7u8PDw77//vqioyN/fv7y8PDExMSMjo7m5+blvdryje98urLy32jwY92FITk6urq5WKBQSiWTv3r3h4eE5OTkDy6hbOO54dB8GK6/7C6a3t9fV1VUkEgnxVDeNRkPr6wJAbGxsv8cg091xFnvCVEhICAAIt4ORFh93dXWlV0ytu7faTA4bd0JIQkICAJw6dUqg9ouKirjLK0lJSXS5vaWlBQB8fHwE6rQfo9EolUpFIpFwt9dev34d+tRBocd1e7mM2o/DTmZA+OqqycnJ169fVyqVHh4eR44ciYiI2Lp1Ky2/aLHv+vv37/f09Pj6+nI3afGu7+zFYDA0NjaKxWJu04Z9ceS4W6Aamaura3Z2dnV1dXp6ekdHx/vvv7969Wpw3PPUxsZGvV7v5+dHa3XYHYw7DyZNmpSXl3fs2LGpU6c2NjY6OTnV1NR0dnYK3S9YatEdnp0K2/d5qmPHPSoqytXV9fbt248fP7ZAd+PGjaObR8Vi8fXr12fPnl1VVSV0pxj3YXHkuDs7O0+bNo0QcunSJUE7IoTk5OTMmTOnuro6IiIiPz8/JiamsrJy1qxZOTk5gnY9cBVSr9fz24XjrEI6dtzBIs8CaWpqWrFiRVZWVk9PT3p6+sWLF1NSUs6fPy+Xy7u6urKysjIyMp48eSJQ7wPjvn79en57dJhrTACOu+5Off311wCwZs0agdo/ePAgrW/q6+tbVFTU76eCVikihFy8eJHWNC0sLKSv3L59293dHQDCw8OvXr1qfhf9FjotsG1KUA4ed/rIFz8/P97r6fWtMrds2bIXbVzivUoRIcRgMPTdOCeTyby8vLh9sfz22NbWtmjRooSEBPqfltk2JRxHjrter3/zzTelUildNaN1JDUajfktX7hwITQ0lIvU4Bs0+apSRAhpaWn56KOPJk2aRFvz8fGRy+UrVqyA/31+Ko899kPrMDc3N/PVoIU5bNw7OztXrVoFAFKpdOHChV5eXtz8LT4+fseOHSMrC6HX65VKJVcheuAzCF6Eq1IUEBAwgkp6/Yr3Tp06lRbvJYQYjUb6mDEAiIuLu337dr8eR1AX6bn63U1gjxwz7g8ePKC3dvj4+Pz3v/8lhHR3d9M6kn1zT4/3ptca//XXXxcsWMAdSodbt2y4VYpIn3nLIMV7qbKyMnrzDH0czYh7HMSJEydgwFNV7IsDxr2mpobWvA0MDBxY7bZf/VQqLi5OpVJxlRafq6CggO5v8PPzO3r06MjG1q9K0SBP4NFqtSqVKjAwkI5wyOK99CNr1qyh76dXeQf2OLLqYmVlZenp6c7OzlOmTNm9e/cIWrARjhb3Cxcu0KIX06ZNu3v37iDv5HLPlckVi8Xz5s1TqVT9zju1Wu26deu4qXBra6uZgywsLKST4IFVisiz4r10gQWeFe81ff6tVqvp/TNRUVFcMeRB6iINoqur6+uvv46NjaUjkUgk69ats4WahCPmUHE/fPgwnd0uXbrU9JpKnZ2dNPdcwrjc37t379y5c8HBwQDg5ubG45MtBj5mrN9DB2BExXupiooKeibt6en573//m75YU1NDbxGVSCT/+Mc/Bm/h3r17SqWS1luFZ8V76RY+u+Y4cd+zZw998tGf/vQnE5951I9Wq927d29ycrJUKuVyT4tnzJ49m/elTJ1O9/bbb9Nwz5gxY8qUKbRTd3f3P//5z9XV1eY03tbWRp9xRyc29KSWPv/D2dm5pKTkRR+k8xYXFxf62ZkzZ9pI8V5eOELcjUajQqGgZ5AKhcL8Bh8/fkwfo+Di4uLu7p6SkjKyvx9TFBcXe3p60qtFQUFBSqWSx0dq0uenAkBERAR31Ylbuumrp6enoKCAVtgEmyzeywu7j3tPT8/rr79OZwW8n0V98MEHAPDGG2/w22w/dI7x1ltv8Vu8l6qqqqIPcH3RY8aeW7y3rq6O95HYAvuO+6NHjxYuXAgAHh4eI14tGYRGowGAl156qbe3l/fGKbpbQiaTCVfAtbOzMzMzk5vYcM/5qaiosKPivbyw47g3NDTQa9rjx4+vqKgQqJeIiAgQcgegSqUC4Z/zQQhRq9V0DWrq1Kk7duyg1yUAwMnJadWqVSdPnhR6ALbAXuN+9epV+v0bFRUl6Dfvu+++CwBZWVkCtU/XZ7gLQ4Linp9KJ/ReXl5yudxOd52OjIgQAvampKRk9erVWq120aJF3377Lb1ULpDz58/PmTMnICCgtraW9yKMd+/e9ff3d3V1bWpq4pb/BdXV1fXVV185OTm5uLhkZGRwa6+ssPbf27AVFxfTZbLXX3/dApc8jEYjvSXr0qVLvDdOH+GUmprKe8vouexve8fcuXODg4PlcnleXp4FNgiLRKKkpCQAKCws5L1x+oC+tLQ03ltGz2WXk5n29va+d7wI7dixY8uXL4+NjeV3E+CdO3cCAwNdXV2bm5uZm1RYif0d3QHAklkHgN/+9rfe3t6XL1+ura3lsdn8/HxCyB/+8AfMusXYZdwtzMXF5Xe/+x0AHD58mMdm9+/fDziTsSyMu0lWrlwJvMa9pqamvLzc09OT/iEhy8C4m2TFihVSqbS0tLS1tZWXBvft20dnMsIVu0MDYdxN4unpuWjRIoPBcOTIEV4axDUZq8C4m4rH+cwvv/xy+fJlLy+vZcuWmd8aMh3G3VSrVq0Si8XHjx/v6Ogws6lvvvmGNiiTyfgYGjIVxt1U48aNS0hI6OrqojuUzYEzGWvBuA8DL/OZmzdvXrt2zdvbm6uLhCwG4z4MtHZ7cXGxOWVH8/PzASAlJcVOS6TbNcd8SLxAQkNDw8PDb9y4sWnTJrpfu9+To52cnPrWsQEAFxeXfrc65uXlAc5krMQu75mxol27dh08ePDMmTMjbsHHx8fd3b2mpobb/owsBuM+bCdPnvz+++8BgBDS70EJBoOhra2t7ys6na7fSk5ISMjf//53+uADZGEYd8QQPFVFDMG4I4Zg3BFDMO6IIRh3xBCMO2IIxh0xBOOOGIJxRwzBuCOGYNwRQzDuiCEYd8QQjDtiCMYdMQTjjhiCcUcMwbgjhmDcEUMw7oghGHfEEIw7YgjGHTEE444YgnFHDMG4I4Zg3BFDMO6IIRh3xBCMO2IIxh0xBOOOGIJxRwzBuCOGYNwRQzDuiCEYd8QQjDtiCMYdMQTjjhiCcUcMwbgjhmDcEUMw7oghGHfEEIw7YgjGHTEE444YgnFHDMG4I4Zg3BFDMO6IIRh3xBCMO2IIxh0xBOOOGIJxRwzBuCOGYNwRQzDuiCEYd8QQjDtiCMYdMQTjjhiCcUcMwbgjhmDcEUMw7oghGHfEEIw7YgjGHTHk/wBUCh8K82c1jwAAAABJRU5ErkJggg==)
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