- InChI
- InChI=1S/C15H22O3/c1-6-15(5)8-7-14(18-15)11(4)13(17)9-12(16)10(2)3/h6,9,11,14,16H,1-2,7-8H2,3-5H3/b12-9-/t11?,14-,15-/m1/s1
- InChI Key
- AYJCMTOVQWMEDB-JJLXFFRJSA-N
- Formula
- C15H22O3
- SMILES
-
C=CC1(C)CCC(C(C)C(=O)C=C(O)C(=
C)C)O1 - Molecular Weight1
- 250.33
- 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° | -16.73 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -351.14 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.11 | kJ/mol | Joback Calculated Property |
| log10WS | -3.73 | Crippen Calculated Property | |
| logPoct/wat | 3.333 | Crippen Calculated Property | |
| McVol | 211.760 | ml/mol | McGowan Calculated Property |
| Pc | 2131.49 | kPa | Joback Calculated Property |
| Inp | 1601.00 | NIST | |
| Tboil | 723.29 | K | Joback Calculated Property |
| Tc | 928.14 | K | Joback Calculated Property |
| Tfus | 375.17 | K | Joback Calculated Property |
| Vc | 0.797 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [614.13; 700.90] | J/mol×K | [723.29; 928.14] | 
|
| Cp,gas | 614.13 | J/mol×K | 723.29 | Joback Calculated Property |
| Cp,gas | 629.75 | J/mol×K | 757.43 | Joback Calculated Property |
| Cp,gas | 644.72 | J/mol×K | 791.57 | Joback Calculated Property |
| Cp,gas | 659.19 | J/mol×K | 825.72 | Joback Calculated Property |
| Cp,gas | 673.29 | J/mol×K | 859.86 | Joback Calculated Property |
| Cp,gas | 687.15 | J/mol×K | 894.00 | Joback Calculated Property |
| Cp,gas | 700.90 | J/mol×K | 928.14 | Joback Calculated Property |
Similar Compounds
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Sources
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