- InChI
- InChI=1S/C13H22O2/c1-5-12(14)15-9-11-6-7-13(3,4)8-10(11)2/h6,10H,5,7-9H2,1-4H3/t10-/m0/s1
- InChI Key
- XOZBCNJUNGIXPL-JTQLQIEISA-N
- Formula
- C13H22O2
- SMILES
- CCC(=O)OCC1=CCC(C)(C)CC1C
- Molecular Weight1
- 210.31
- 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.
- 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° | -143.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -460.92 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.65 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.61 | kJ/mol | Joback Calculated Property |
| log10WS | -3.39 | Crippen Calculated Property | |
| logPoct/wat | 3.322 | Crippen Calculated Property | |
| McVol | 186.310 | ml/mol | McGowan Calculated Property |
| Pc | 2100.34 | kPa | Joback Calculated Property |
| Inp | [1374.00; 1374.00] |
|
|
| Inp | 1374.00 | NIST | |
| Inp | 1374.00 | NIST | |
| I | [1694.00; 1694.00] |
|
|
| I | 1694.00 | NIST | |
| I | 1694.00 | NIST | |
| Tboil | 592.39 | K | Joback Calculated Property |
| Tc | 799.01 | K | Joback Calculated Property |
| Tfus | 348.75 | K | Joback Calculated Property |
| Vc | 0.704 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [485.49; 584.35] | J/mol×K | [592.39; 799.01] |
|
| Cp,gas | 485.49 | J/mol×K | 592.39 | Joback Calculated Property |
| Cp,gas | 504.04 | J/mol×K | 626.83 | Joback Calculated Property |
| Cp,gas | 521.65 | J/mol×K | 661.26 | Joback Calculated Property |
| Cp,gas | 538.40 | J/mol×K | 695.70 | Joback Calculated Property |
| Cp,gas | 554.38 | J/mol×K | 730.14 | Joback Calculated Property |
| Cp,gas | 569.67 | J/mol×K | 764.58 | Joback Calculated Property |
| Cp,gas | 584.35 | J/mol×K | 799.01 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to «beta»-Isocyclolavandulyl propionate.
Sources
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