- InChI
- InChI=1S/C12H18O2/c1-3-10(2)14-12(13)9-8-11-6-4-5-7-11/h1,10-11H,4-9H2,2H3
- InChI Key
- WEHCCFDMIBZMBC-UHFFFAOYSA-N
- Formula
- C12H18O2
- SMILES
- C#CC(C)OC(=O)CCC1CCCC1
- Molecular Weight1
- 194.27
- 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 | 0.4446 | Relay (1.0) Calculated Property | |
| ΔfG° | 73.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -333.96 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 23.01 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.20 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.80 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.16 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.522 | Crippen Calculated Property | |
| McVol | 167.920 | ml/mol | McGowan Calculated Property |
| Pc | 2530.27 | kPa | Joback Calculated Property |
| Inp | [1367.10; 1367.10] |
|
|
| Inp | 1367.10 | NIST | |
| Inp | 1367.10 | NIST | |
| Tboil | 500.39 | K | Relay (1.0) Calculated Property |
| Tc | 713.90 | K | Relay (1.0) Calculated Property |
| Tfus | 269.93 | K | Relay (1.0) Calculated Property |
| Vc | 0.580 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [413.64; 505.09] | J/mol×K | [555.21; 765.49] |
|
| Cp,gas | 413.64 | J/mol×K | 555.21 | Joback Calculated Property |
| Cp,gas | 431.26 | J/mol×K | 590.26 | Joback Calculated Property |
| Cp,gas | 447.88 | J/mol×K | 625.30 | Joback Calculated Property |
| Cp,gas | 463.54 | J/mol×K | 660.35 | Joback Calculated Property |
| Cp,gas | 478.28 | J/mol×K | 695.40 | Joback Calculated Property |
| Cp,gas | 492.12 | J/mol×K | 730.44 | Joback Calculated Property |
| Cp,gas | 505.09 | J/mol×K | 765.49 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Cyclopentylpropionic acid, but-3-yn-2-yl ester.
Sources
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