- InChI
- InChI=1S/C13H22O2/c1-11(2)9-10-15-13(14)8-7-12-5-3-4-6-12/h9,12H,3-8,10H2,1-2H3
- InChI Key
- YSICNKUSJOTUON-UHFFFAOYSA-N
- Formula
- C13H22O2
- SMILES
- CC(C)=CCOC(=O)CCC1CCCC1
- Molecular Weight1
- 210.31
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.5259 | Relay (... Calculated Property | |
| ΔfG° | -67.12 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -508.87 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 25.04 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.47 | kJ/mol | Relay (... Calculated Property |
| IE | 8.70 | eV | Relay (... Calculated Property |
| log10WS | -4.01 | Relay (... Calculated Property | |
| logPoct/wat | 3.466 | Crippen Calculated Property | |
| McVol | 186.310 | ml/mol | McGowan Calculated Property |
| Pc | 2098.42 | kPa | Joback Calculated Property |
| Inp | [1549.00; 1549.00] |
|
|
| Inp | 1549.00 | NIST | |
| Inp | 1549.00 | NIST | |
| Tboil | 542.66 | K | Relay (... Calculated Property |
| Tc | 738.60 | K | Relay (... Calculated Property |
| Tfus | 226.44 | K | Relay (... Calculated Property |
| Vc | 0.660 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [485.03; 581.82] | J/mol×K | [592.45; 794.12] |
|
| Cp,gas | 485.03 | J/mol×K | 592.45 | Joback Calculated Property |
| Cp,gas | 503.58 | J/mol×K | 626.06 | Joback Calculated Property |
| Cp,gas | 521.12 | J/mol×K | 659.67 | Joback Calculated Property |
| Cp,gas | 537.67 | J/mol×K | 693.28 | Joback Calculated Property |
| Cp,gas | 553.28 | J/mol×K | 726.89 | Joback Calculated Property |
| Cp,gas | 567.98 | J/mol×K | 760.50 | Joback Calculated Property |
| Cp,gas | 581.82 | J/mol×K | 794.12 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Cyclopentylpropionic acid, 3-methylbut-2-enyl ester.
Sources
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