- InChI
- InChI=1S/C7H10O2/c1-3-5-7(8)9-6-4-2/h2H,3,5-6H2,1H3
- InChI Key
- JADOFECNZGDUSZ-UHFFFAOYSA-N
- Formula
- C7H10O2
- SMILES
- C#CCOC(=O)CCC
- Molecular Weight1
- 126.15
- 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 | 0.4043 | Relay (1.0) Calculated Property | |
| ΔfG° | -2.79 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -219.28 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.65 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.80 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.02 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.45 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.963 | Crippen Calculated Property | |
| McVol | 108.330 | ml/mol | McGowan Calculated Property |
| Pc | 3476.55 | kPa | Joback Calculated Property |
| Inp | [857.00; 895.00] |
|
|
| Inp | 895.00 | NIST | |
| Inp | 857.00 | NIST | |
| Inp | 873.00 | NIST | |
| Inp | 894.00 | NIST | |
| Tboil | 417.09 | K | Relay (1.0) Calculated Property |
| Tc | 599.56 | K | Relay (1.0) Calculated Property |
| Tfus | 214.88 | K | Relay (1.0) Calculated Property |
| Vc | 0.378 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [210.77; 262.39] | J/mol×K | [425.97; 614.89] |
|
| Cp,gas | 210.77 | J/mol×K | 425.97 | Joback Calculated Property |
| Cp,gas | 220.28 | J/mol×K | 457.46 | Joback Calculated Property |
| Cp,gas | 229.42 | J/mol×K | 488.94 | Joback Calculated Property |
| Cp,gas | 238.20 | J/mol×K | 520.43 | Joback Calculated Property |
| Cp,gas | 246.62 | J/mol×K | 551.91 | Joback Calculated Property |
| Cp,gas | 254.68 | J/mol×K | 583.40 | Joback Calculated Property |
| Cp,gas | 262.39 | J/mol×K | 614.89 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Butanoic acid, 2-propynyl ester.
Sources
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