- InChI
- InChI=1S/C17H24O3/c18-10-2-4-11-9(7-10)1-3-13-12-5-6-15(19)14(12)8-16(20)17(11)13/h9-14,17-18H,1-8H2/t9-,10-,11?,12?,13?,14?,17?/m0/s1
- InChI Key
- ZCVBLANICGCTOM-IKZQXDISSA-N
- Formula
- C17H24O3
- SMILES
-
O=C1CCC2C1CC(=O)C1C3CCC(O)CC3C
CC21 - Molecular Weight1
- 276.37
- 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 | 0.6247 | Relay (1.0) Calculated Property | |
| ΔfG° | -130.37 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -626.62 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 28.15 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 121.19 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.83 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.32 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.358 | Crippen Calculated Property | |
| McVol | 215.960 | ml/mol | McGowan Calculated Property |
| Pc | 2179.52 | kPa | Joback Calculated Property |
| Inp | 2634.00 | NIST | |
| Tboil | 647.28 | K | Relay (1.0) Calculated Property |
| Tc | 943.29 | K | Relay (1.0) Calculated Property |
| Tfus | 484.29 | K | Relay (1.0) Calculated Property |
| Vc | 0.772 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [796.25; 888.27] | J/mol×K | [850.48; 1087.38] | 
|
| Cp,gas | 796.25 | J/mol×K | 850.48 | Joback Calculated Property |
| Cp,gas | 815.76 | J/mol×K | 889.96 | Joback Calculated Property |
| Cp,gas | 833.54 | J/mol×K | 929.45 | Joback Calculated Property |
| Cp,gas | 849.62 | J/mol×K | 968.93 | Joback Calculated Property |
| Cp,gas | 864.08 | J/mol×K | 1008.41 | Joback Calculated Property |
| Cp,gas | 876.94 | J/mol×K | 1047.90 | Joback Calculated Property |
| Cp,gas | 888.27 | J/mol×K | 1087.38 | Joback Calculated Property |
Similar Compounds
Sources
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