- InChI
- InChI=1S/C15H24O/c1-10-6-7-15-11(2)4-5-12(15)14(3,9-16)13(15)8-10/h8,11-13,16H,4-7,9H2,1-3H3/t11-,12-,13-,14-,15-/m0/s1
- InChI Key
- MNQNDAQBBYTPHH-YTFOTSKYSA-N
- Formula
- C15H24O
- SMILES
- CC1=CC2C(C)(CO)C3CCC(C)C23CC1
- Molecular Weight1
- 220.35
- 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 | 0.5158 | Relay (1.0) Calculated Property | |
| ΔfG° | 90.58 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -173.46 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 93.47 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.13 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.02 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.387 | Crippen Calculated Property | |
| McVol | 191.200 | ml/mol | McGowan Calculated Property |
| Pc | 2309.17 | kPa | Joback Calculated Property |
| Inp | 1645.00 | NIST | |
| Tboil | 556.53 | K | Relay (1.0) Calculated Property |
| Tc | 818.32 | K | Relay (1.0) Calculated Property |
| Tfus | 340.06 | K | Relay (1.0) Calculated Property |
| Vc | 0.647 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [574.50; 678.22] | J/mol×K | [658.82; 867.61] | 
|
| Cp,gas | 574.50 | J/mol×K | 658.82 | Joback Calculated Property |
| Cp,gas | 592.95 | J/mol×K | 693.62 | Joback Calculated Property |
| Cp,gas | 610.61 | J/mol×K | 728.42 | Joback Calculated Property |
| Cp,gas | 627.74 | J/mol×K | 763.22 | Joback Calculated Property |
| Cp,gas | 644.56 | J/mol×K | 798.01 | Joback Calculated Property |
| Cp,gas | 661.31 | J/mol×K | 832.81 | Joback Calculated Property |
| Cp,gas | 678.22 | J/mol×K | 867.61 | Joback Calculated Property |
Similar Compounds
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)
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