- InChI
- InChI=1S/C15H20O3/c1-9(2)11-5-4-10(3)6-12-14(18-12)15(8-17-15)13(16)7-11/h4-5,9,11-12,14H,3,6-8H2,1-2H3/b5-4+/t11?,12-,14-,15+/m0/s1
- InChI Key
- KVFSFBCTIZBPRK-UFURTSHJSA-N
- Formula
- C15H20O3
- SMILES
-
C=C1C=CC(C(C)C)CC(=O)C2(CO2)C2
OC2C1 - Molecular Weight1
- 248.32
- 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).
- I : 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° | -18.16 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -429.23 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.28 | kJ/mol | Joback Calculated Property |
| log10WS | -2.80 | Crippen Calculated Property | |
| logPoct/wat | 2.270 | Crippen Calculated Property | |
| McVol | 194.340 | ml/mol | McGowan Calculated Property |
| Pc | 2320.31 | kPa | Joback Calculated Property |
| I | 2619.00 | NIST | |
| Tboil | 695.07 | K | Joback Calculated Property |
| Tc | 939.26 | K | Joback Calculated Property |
| Tfus | 439.01 | K | Joback Calculated Property |
| Vc | 0.725 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [593.52; 704.39] | J/mol×K | [695.07; 939.26] | 
|
| Cp,gas | 593.52 | J/mol×K | 695.07 | Joback Calculated Property |
| Cp,gas | 614.33 | J/mol×K | 735.77 | Joback Calculated Property |
| Cp,gas | 633.96 | J/mol×K | 776.47 | Joback Calculated Property |
| Cp,gas | 652.59 | J/mol×K | 817.16 | Joback Calculated Property |
| Cp,gas | 670.42 | J/mol×K | 857.86 | Joback Calculated Property |
| Cp,gas | 687.62 | J/mol×K | 898.56 | Joback Calculated Property |
| Cp,gas | 704.39 | J/mol×K | 939.26 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to periplanone-B.
Sources
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