- InChI
- InChI=1S/C13H20O2/c1-4-5-6-12(9-10(2)3)15-13(14)11-7-8-11/h10-12H,4,7-9H2,1-3H3
- InChI Key
- LELZXSOBOUZPNC-UHFFFAOYSA-N
- Formula
- C13H20O2
- SMILES
- CCC#CC(CC(C)C)OC(=O)C1CC1
- 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° | 83.33 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -221.91 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.42 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.98 | kJ/mol | Joback Calculated Property |
| log10WS | -3.44 | Crippen Calculated Property | |
| logPoct/wat | 2.768 | Crippen Calculated Property | |
| McVol | 182.010 | ml/mol | McGowan Calculated Property |
| Pc | 2237.64 | kPa | Joback Calculated Property |
| Inp | [1392.00; 1392.00] |
|
|
| Inp | 1392.00 | NIST | |
| Inp | 1392.00 | NIST | |
| Tboil | 587.99 | K | Joback Calculated Property |
| Tc | 795.45 | K | Joback Calculated Property |
| Tfus | 402.47 | K | Joback Calculated Property |
| Vc | 0.695 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [464.26; 554.61] | J/mol×K | [587.99; 795.45] |
|
| Cp,gas | 464.26 | J/mol×K | 587.99 | Joback Calculated Property |
| Cp,gas | 481.55 | J/mol×K | 622.57 | Joback Calculated Property |
| Cp,gas | 497.90 | J/mol×K | 657.14 | Joback Calculated Property |
| Cp,gas | 513.34 | J/mol×K | 691.72 | Joback Calculated Property |
| Cp,gas | 527.91 | J/mol×K | 726.30 | Joback Calculated Property |
| Cp,gas | 541.66 | J/mol×K | 760.88 | Joback Calculated Property |
| Cp,gas | 554.61 | J/mol×K | 795.45 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cyclopropanecarboxylic acid, 2-methyloct-5-yn-4-yl ester.
Sources
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