- InChI
- InChI=1S/C15H24O/c1-6-15(5)10-12-9-11(2)7-8-13(12)14(3,4)16-15/h6,9,12-13H,1,7-8,10H2,2-5H3/t12-,13+,15-/m0/s1
- InChI Key
- NIGRJVWIKNICMW-GUTXKFCHSA-N
- Formula
- C15H24O
- SMILES
- C=CC1(C)CC2C=C(C)CCC2C(C)(C)O1
- Molecular Weight1
- 220.35
- CAS
- 107602-54-0
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 144.17 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -202.43 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.55 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.37 | kJ/mol | Joback Calculated Property |
| log10WS | -4.43 | Crippen Calculated Property | |
| logPoct/wat | 4.103 | Crippen Calculated Property | |
| McVol | 197.760 | ml/mol | McGowan Calculated Property |
| Pc | 2029.06 | kPa | Joback Calculated Property |
| Inp | 1447.20 | NIST | |
| Tboil | 592.07 | K | Joback Calculated Property |
| Tc | 819.27 | K | Joback Calculated Property |
| Tfus | 358.02 | K | Joback Calculated Property |
| Vc | 0.740 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [534.65; 654.14] | J/mol×K | [592.07; 819.27] | 
|
| Cp,gas | 534.65 | J/mol×K | 592.07 | Joback Calculated Property |
| Cp,gas | 557.08 | J/mol×K | 629.94 | Joback Calculated Property |
| Cp,gas | 578.17 | J/mol×K | 667.80 | Joback Calculated Property |
| Cp,gas | 598.16 | J/mol×K | 705.67 | Joback Calculated Property |
| Cp,gas | 617.32 | J/mol×K | 743.54 | Joback Calculated Property |
| Cp,gas | 635.90 | J/mol×K | 781.40 | Joback Calculated Property |
| Cp,gas | 654.14 | J/mol×K | 819.27 | Joback Calculated Property |
Similar Compounds
Sources
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