- InChI
- InChI=1S/C5H6O2/c1-3-4-7-5(2)6/h1H,4H2,2H3
- InChI Key
- RIZZXCJMFIGMON-UHFFFAOYSA-N
- Formula
- C5H6O2
- SMILES
- C#CCOC(C)=O
- Molecular Weight1
- 98.10
- CAS
- 627-09-8
- Other Names
-
- Propargyl acetate
- Propargyl alcohol acetate
- 2-Propynyl acetate
- 3-Acetoxypropyne
- 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.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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 | 0.3171 | Relay (1.0) Calculated Property | |
| ΔfG° | -96.08 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -176.85 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.05 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 45.86 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.00 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.53 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.183 | Crippen Calculated Property | |
| McVol | 80.150 | ml/mol | McGowan Calculated Property |
| Pc | 4189.32 | kPa | Joback Calculated Property |
| Inp | 672.00 | NIST | |
| I | 1215.00 | NIST | |
| Tboil | [395.00; 397.70] | K |
|
| Tboil | 397.70 | K | NIST |
| Tboil | 395.00 ± 4.00 | K | NIST |
| Tboil | 397.00 ± 4.00 | K | NIST |
| Tc | 570.57 | K | Relay (1.0) Calculated Property |
| Tfus | 220.11 | K | Relay (1.0) Calculated Property |
| Vc | 0.282 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [137.97; 175.37] | J/mol×K | [362.34; 549.47] |
|
| Cp,gas | 137.97 | J/mol×K | 362.34 | Joback Calculated Property |
| Cp,gas | 144.87 | J/mol×K | 393.53 | Joback Calculated Property |
| Cp,gas | 151.50 | J/mol×K | 424.72 | Joback Calculated Property |
| Cp,gas | 157.86 | J/mol×K | 455.91 | Joback Calculated Property |
| Cp,gas | 163.96 | J/mol×K | 487.09 | Joback Calculated Property |
| Cp,gas | 169.80 | J/mol×K | 518.28 | Joback Calculated Property |
| Cp,gas | 175.37 | J/mol×K | 549.47 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 301.00 | K | 1.00 | NIST |
Similar Compounds
Find more compounds similar to 2-Propyn-1-ol, acetate.
Sources
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