- InChI
- InChI=1S/C11H18O2/c1-3-4-5-6-8-11(2)9-7-10(12)13-11/h4-5H,3,6-9H2,1-2H3/b5-4+
- InChI Key
- NIKDJTTZUYNCMM-SNAWJCMRSA-N
- Formula
- C11H18O2
- SMILES
- CCC=CCCC1(C)CCC(=O)O1
- Molecular Weight1
- 182.26
- 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° | -55.69 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -347.13 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 47.90 | kJ/mol | Joback Calculated Property |
| log10WS | -3.15 | Crippen Calculated Property | |
| logPoct/wat | 2.828 | Crippen Calculated Property | |
| McVol | 158.130 | ml/mol | McGowan Calculated Property |
| Pc | 2574.11 | kPa | Joback Calculated Property |
| I | 1893.00 | NIST | |
| Tboil | 565.53 | K | Joback Calculated Property |
| Tc | 784.28 | K | Joback Calculated Property |
| Tfus | 338.24 | K | Joback Calculated Property |
| Vc | 0.599 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [399.21; 490.53] | J/mol×K | [565.53; 784.28] | 
|
| Cp,gas | 399.21 | J/mol×K | 565.53 | Joback Calculated Property |
| Cp,gas | 416.51 | J/mol×K | 601.99 | Joback Calculated Property |
| Cp,gas | 432.83 | J/mol×K | 638.45 | Joback Calculated Property |
| Cp,gas | 448.28 | J/mol×K | 674.91 | Joback Calculated Property |
| Cp,gas | 462.98 | J/mol×K | 711.37 | Joback Calculated Property |
| Cp,gas | 477.02 | J/mol×K | 747.83 | Joback Calculated Property |
| Cp,gas | 490.53 | J/mol×K | 784.28 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to «delta»-Jasmolactone.
Sources
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