- InChI
- InChI=1S/C16H30/c1-11-9-15(4,5)14-8-7-12(2)13(3)16(14,6)10-11/h11-14H,7-10H2,1-6H3/t11?,12-,13-,14-,16+/m1/s1
- InChI Key
- OTKVIAFXSNFZKS-HDXBLWQJSA-N
- Formula
- C16H30
- SMILES
- CC1CC(C)(C)C2CCC(C)C(C)C2(C)C1
- Molecular Weight1
- 222.41
- 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 | 0.3612 | Relay (1.0) Calculated Property | |
| ΔfG° | 115.12 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -249.22 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.75 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.55 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.68 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.16 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.131 | Crippen Calculated Property | |
| McVol | 214.580 | ml/mol | McGowan Calculated Property |
| Pc | 1685.18 | kPa | Joback Calculated Property |
| Inp | 1567.00 | NIST | |
| Tboil | 533.30 | K | Relay (1.0) Calculated Property |
| Tc | 745.96 | K | Relay (1.0) Calculated Property |
| Tfus | 289.72 | K | Relay (1.0) Calculated Property |
| Vc | 0.745 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [593.64; 735.44] | J/mol×K | [577.84; 795.50] | 
|
| Cp,gas | 593.64 | J/mol×K | 577.84 | Joback Calculated Property |
| Cp,gas | 620.38 | J/mol×K | 614.12 | Joback Calculated Property |
| Cp,gas | 645.59 | J/mol×K | 650.39 | Joback Calculated Property |
| Cp,gas | 669.49 | J/mol×K | 686.67 | Joback Calculated Property |
| Cp,gas | 692.29 | J/mol×K | 722.95 | Joback Calculated Property |
| Cp,gas | 714.21 | J/mol×K | 759.22 | Joback Calculated Property |
| Cp,gas | 735.44 | J/mol×K | 795.50 | Joback Calculated Property |
Similar Compounds
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bdu2PXHihNhF48WXX34JAD/99JNde4m5SPzly5c1Gg25hTNXqF+/fuvXr3em9YYntr1mrvOSYDabs7KyEhISmEFBHh4eI0aMIFkHgBYtWsij16yBkSNHAsBff/1l115ixt1qtZaXl3fs2LFjx45+fn6JiYmXL18WtzxNc6khnzdu3EhKSmJmRbQdFPTLL78AwMKFC+XUa9YAeREoKyuzay+R4261Wsl3KC4edIZtxWPhwoVc9Zqx9+TJkwaV+O7du2u12jt37jDbfPHFFwCwfv1665u9ZhUVFQKXlidkJSYfHx97a3Qix12iY7KZIZ9O9pqx99ZBQYsXL87Ozm58yYcOHQoAzFg3GfSaNXDixAnScmDvjiLHXbpjsp3pNbPLuwYFNXGDIG/t9+/fZ/6EGfLZunXrI0eO8FdaYaSkpADAkiVL7N1R5LhLekw2r0M+7927l5ycTMZz2w4KavZhotPpAMDPz6/Bn0u616yBRYsWAcDGjRvt3VHkuEt9TDbLXjP2DAZDamrq6NGjmfZEMigoNzeX5RGOHTsGACNGjGj8v2yHfEqr16yBmJgYx3oVRI67DMZkczLks9mPDNlbt24dACxduvRdGzC9ZhId8mmxWEjLtQOFFznushmT7fCQT/YfGbI0b948ANi0aVMT27h+r1kT/vvvPwDw9/d3YF8x415TU6NUKmUzJjsvL4995bXxoKCwsDCtVtv0R4ZskOpEdnZ205vp9XqJDvkk07qMHj3agX3FjLv8xmSXl5czQz7T09Mbb+D8R4ZNM5vN5HXoyZMnzW7sUr1m7K1cuRIAli9f7sC+YsZdlmOyTSZTQkICACgUCtsquDCDgoqLiwFAo9Gw3F70XjP2nj17xlTiR44cyXIAeQNixl2uY7JtMzRx4kStVmv7kWFkZOSGDRt4qiOmp6cDwNixY+3ay3aiFFcbrVRXV5eZmTlt2jSVSkX+AtVqtQNNkISYcZf3mOz9+/d7eXmp1WpykQICAjj/yLCxH374AQBWrlxp7465ubmk8sp3rxl7+fn5SUlJHTp0aFCJr66udviYYsY9ICAAAO7evStiGXh15cqV48ePx8fHHzt2rL6+XoAzzpw5EwC2bdvmwL5CTpTShPLy8pSUlMjISOZ52KNHD61Wy0lORIv7kydPSJVOxO825Kd3794AcOnSJcd257zXzK5TN6jE+/r6kkFBHJ5FtLifPn0aAAYNGiRWAeSnrq5OpVIplcqamhqHD8LTRClNIJX49957j6S8ZcuWcXFxaWlpfJxatLgzY7LFKoD8kNmfQ0NDnT8UVxOlNIEMCgoNDWVeWqKiolJSUnjt6G0BIpH9TPvC43A296lTp4aGhk6cOPHcuXMxMTEZGRlcXSmDwXD48OHt27efPHnSarUCQGBg4JQpUxYsWBAREcHJKZrC37+kpjUYk42cZ+9k582y7TVzrJ2b8daPDMmgIGEq8YRocW88Jhs5yd7JztkwmUxOVl5Je2LjjwydaU90mDhxf9eYbOQMeyc7Z6mJiVKawOYjQ+GJE/cmxmQjxzgw2bldSK8Z/P9EKe/azK6PDIUnTtybHZON7OXAZOf2ysvLIwOVNRpN4+7ht35kyFN7osPEaZnBZhnOCbDIXp8+fc6fPz9p0qSLFy8OGzZsx44dEydOLCsr27Vr19atW4uKishm4eHhc+bMmTdvXvv27fkrjGPEibvsF0AUnjB3kICAgNOnTy9YsGDXrl2TJ0/u2rVrYWGh1WoFAI1GEx8fP2fOHFdellmEuFssloKCAgAIDw8X/uxyJdgdpFWrVjt37uzfv/8333yj0+lUKtWECRMSEhLGjRvXooVo3TgsKcg/TSGVlJSEhoZqNJqysjKBTy1jnTp1KisrKyoqsu2n5A+5iO3bty8pKWEm3Xd93KyabRd8k+GcwWDQ6XSenp4hISHCnJFcxMjISAllHTDu8kBGqIeHh5PWcWHOCBK8iCLEHZtlOCd8+CR6EfHuLgfCh0+iF1HouNfX1xcWFiqVSldurpIcgcNXV1d3+/ZtKV5EoeN++/bt2trakJAQZmQccp7AcS8sLHz58qUUL6LQcZfoQ9CVPXz4sKKiwsfHJzAwUJgzkotIPhSUFqHjTt4yMe4cYsJnuyoTr6R7EcW5u0uuRu/KhH9gSvci4suM5GGzDHuCxt1oNN65c8fd3d12Vi3kJIHDx1xE26UWpELQuBcUFJjN5rCwMGaVYOQkq9VKxtsJdncnF7F79+5SvIiCxl26D0GXde/ePYPB4O/vz0y2yjdJX0RBR2xKtOfZlfn5+WVmZlZXVwt2RunWU0HguEv6xuCavLy84uLihDyjpC+ioHEfP368Wq3u16+fkCdF3JJ03EX4vANJl8Fg8PX19fDwqK6uFmywMYekV2IkIjKJTc+ePaWYdcC4I7tI+k0GMO7ILlJvW8O4Izvg3R1RRLpjIQlsmUFsPXjwICAgwNfXt7KyUuyyOAjv7ogtqb/JAMYdsYdxRxSRerMMYNwRezK4u2NVFbFitVrbtGlTVVVVUVHBTOIuOXh3R6yUlpZWVVUFBARIN+uAcUcsyeBNBjDuiCWMO6KIDJplAOOOWJLH3R1bZlDz6uvr1Wp1bW2twWBQq9ViF8dxeHdHzSsuLjaZTMHBwZLOOmDcERvyeJMBjDtiA+OOKCKPZhnAuCM2ZHN3x5YZ1Iza2lqymmRNTY1KpRK7OE5x9WWOkegeP34cExNjNpulnnXAuzuiCr67I4pg3BFFMO6IIhh3RBGMO6IIxh1RBOOOKIJxRxTBuCOKYNwRRTDuiCIYd0QRjDuiCMYdUQTjjiiCcUcUwbgjimDcEUUw7ogiGHdEEYw7ogjGHVEE444ognFHFMG4I4pg3BFFMO6IIhh3RBGMO6IIxh1RBOOOKIJxRxTBuCOKYNwRRTDuiCIYd0QRjDuiCMYdUQTjjiiCcUcUwbgjimDcEUUw7ogiGHdEEYw7ogjGHVEE444ognFHFMG4I4pg3BFFMO6IIhh3RBGMO6IIxh1R5P8AZV8saWd7fV4AAAAASUVORK5CYII=)
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