- InChI
- InChI=1S/C13H20O2/c1-6-12(10(3)4)8-11(5)9-15-13(14)7-2/h6,8,12H,1,3,7,9H2,2,4-5H3/b11-8+
- InChI Key
- UYACSVLHQPEITQ-DHZHZOJOSA-N
- Formula
- C13H20O2
- SMILES
- C=CC(C=C(C)COC(=O)CC)C(=C)C
- Molecular Weight1
- 208.30
- 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° | 61.02 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -213.23 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 23.71 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.08 | kJ/mol | Joback Calculated Property |
| log10WS | -3.45 | Crippen Calculated Property | |
| logPoct/wat | 3.264 | Crippen Calculated Property | |
| McVol | 188.570 | ml/mol | McGowan Calculated Property |
| Pc | 1947.51 | kPa | Joback Calculated Property |
| Inp | 1353.00 | NIST | |
| Tboil | 569.97 | K | Joback Calculated Property |
| Tc | 760.45 | K | Joback Calculated Property |
| Tfus | 256.91 | K | Joback Calculated Property |
| Vc | 0.726 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [454.71; 537.46] | J/mol×K | [569.97; 760.45] | 
|
| Cp,gas | 454.71 | J/mol×K | 569.97 | Joback Calculated Property |
| Cp,gas | 470.38 | J/mol×K | 601.72 | Joback Calculated Property |
| Cp,gas | 485.25 | J/mol×K | 633.46 | Joback Calculated Property |
| Cp,gas | 499.37 | J/mol×K | 665.21 | Joback Calculated Property |
| Cp,gas | 512.75 | J/mol×K | 696.96 | Joback Calculated Property |
| Cp,gas | 525.44 | J/mol×K | 728.70 | Joback Calculated Property |
| Cp,gas | 537.46 | J/mol×K | 760.45 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Lyratyl propanoate.
Sources
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