- InChI
- InChI=1S/C6H10O2/c1-2-3-5-4-8-6(5)7/h5H,2-4H2,1H3
- InChI Key
- RDILZTZKTCONPZ-UHFFFAOYSA-N
- Formula
- C6H10O2
- SMILES
- CCCC1COC1=O
- Molecular Weight1
- 114.14
- CAS
- 15964-17-7
- ω : Acentric Factor.
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- 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).
- ΔfH°liquid : Liquid phase 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).
- 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 | 0.4011 | Relay (1.0) Calculated Property | |
| ΔcH°liquid | -3337.60 ± 1.60 | kJ/mol | NIST |
| ΔfG° | -160.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -372.24 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°liquid | -452.60 ± 1.60 | kJ/mol | NIST |
| ΔfusH° | 14.82 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.99 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.02 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.28 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.960 | Crippen Calculated Property | |
| McVol | 91.980 | ml/mol | McGowan Calculated Property |
| Pc | 3843.54 | kPa | Joback Calculated Property |
| Tboil | 470.74 | K | Relay (1.0) Calculated Property |
| Tc | 644.98 | K | Relay (1.0) Calculated Property |
| Tfus | 223.06 | K | Relay (1.0) Calculated Property |
| Vc | 0.343 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [194.35; 259.40] | J/mol×K | [442.46; 650.91] | 
|
| Cp,gas | 194.35 | J/mol×K | 442.46 | Joback Calculated Property |
| Cp,gas | 206.44 | J/mol×K | 477.20 | Joback Calculated Property |
| Cp,gas | 218.02 | J/mol×K | 511.94 | Joback Calculated Property |
| Cp,gas | 229.11 | J/mol×K | 546.68 | Joback Calculated Property |
| Cp,gas | 239.70 | J/mol×K | 581.43 | Joback Calculated Property |
| Cp,gas | 249.80 | J/mol×K | 616.17 | Joback Calculated Property |
| Cp,gas | 259.40 | J/mol×K | 650.91 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Beta-propyl-beta-propiolactone.
Sources
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