- InChI
- InChI=1S/C6H8O3/c1-4(7)5-2-3-9-6(5)8/h5H,2-3H2,1H3
- InChI Key
- OMQHDIHZSDEIFH-UHFFFAOYSA-N
- Formula
- C6H8O3
- SMILES
- CC(=O)C1CCOC1=O
- Molecular Weight1
- 128.13
- CAS
- 517-23-7
- Other Names
-
- 2(3H)-Furanone, 3-acetyldihydro-
- 2-Acetyl-4-hydroxybutyric acid «gamma»-lactone
- 2-Acetyl-«gamma»-butyrolactone
- 2-Oxo-3-acetyltetrahydrofuran
- 2-acetylbutyrolactone
- 3-Acetyl-2(3H)-4,5-dihydrofuranone
- 3-Acetyltetrahydro-2-furanone
- 3-acetyldihydrofuran-2(3H)-one
- Dihydro-3-acetyl-2(3H)-furanone
- NSC 2019
- «alpha»-(2-Hydroxyethyl)acetoacetic acid «gamma»-lactone
- «alpha»-Acetyl-«gamma»-butyrolactone
- «alpha»-Acetyl-«gamma»-hydroxybutyric acid «gamma»-lactone
- «alpha»-Acetylbutyrolactone
- 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).
- 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).
- Pvap : Vapor pressure (kPa).
- Inp : Non-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 |
|---|---|---|---|
| ΔfG° | -301.44 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -488.97 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 14.32 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 44.71 | kJ/mol | Joback Calculated Property |
| log10WS | -0.13 | Crippen Calculated Property | |
| logPoct/wat | 0.138 | Crippen Calculated Property | |
| McVol | 93.550 | ml/mol | McGowan Calculated Property |
| Pc | 4299.92 | kPa | Joback Calculated Property |
| Inp | [1108.00; 1108.00] |
|
|
| Inp | 1108.00 | NIST | |
| Inp | 1108.00 | NIST | |
| Inp | 1108.00 | NIST | |
| Tboil | 500.60 | K | Joback Calculated Property |
| Tc | 728.46 | K | Joback Calculated Property |
| Tfus | 313.00 | K | Joback Calculated Property |
| Vc | 0.346 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [209.14; 273.42] | J/mol×K | [500.60; 728.46] |
|
| Cp,gas | 209.14 | J/mol×K | 500.60 | Joback Calculated Property |
| Cp,gas | 221.35 | J/mol×K | 538.58 | Joback Calculated Property |
| Cp,gas | 232.98 | J/mol×K | 576.55 | Joback Calculated Property |
| Cp,gas | 244.01 | J/mol×K | 614.53 | Joback Calculated Property |
| Cp,gas | 254.44 | J/mol×K | 652.50 | Joback Calculated Property |
| Cp,gas | 264.24 | J/mol×K | 690.48 | Joback Calculated Property |
| Cp,gas | 273.42 | J/mol×K | 728.46 | Joback Calculated Property |
| Pvap | [0.55; 103.54] | kPa | [385.00; 530.80] |
|
| Pvap | 0.55 | kPa | 385.00 | Density... |
| Pvap | 1.02 | kPa | 395.10 | Density... |
| Pvap | 1.77 | kPa | 405.20 | Density... |
| Pvap | 2.92 | kPa | 415.30 | Density... |
| Pvap | 4.61 | kPa | 425.50 | Density... |
| Pvap | 6.98 | kPa | 434.60 | Density... |
| Pvap | 10.00 | kPa | 445.10 | Density... |
| Pvap | 20.00 | kPa | 464.50 | Density... |
| Pvap | 30.05 | kPa | 478.20 | Density... |
| Pvap | 40.17 | kPa | 489.40 | Density... |
| Pvap | 60.05 | kPa | 505.80 | Density... |
| Pvap | 69.06 | kPa | 511.50 | Density... |
| Pvap | 78.10 | kPa | 517.30 | Density... |
| Pvap | 88.01 | kPa | 523.30 | Density... |
| Pvap | 103.54 | kPa | 530.80 | Density... |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | [380.70; 404.50] | K | [0.70; 2.40] |
|
| Tboilr | 380.70 | K | 0.70 | NIST |
| Tboilr | 404.50 ± 1.50 | K | 2.40 | NIST |
| Tboilr | 404.00 ± 1.00 | K | 2.40 | NIST |
Similar Compounds
Find more compounds similar to «alpha»-Acetobutyrolactone.
Mixtures
Sources
- Crippen Method
- Crippen Method
- Density, Viscosity, and Vapor-Liquid Equilibrium Data for the Binary Mixture at Atmosphere Pressure: Cyclopropyl Methyl Ketone + 2-Acetylbutyrolactone, Cyclopropyl Methyl Ketone + 5-Chloro-2-pentanone
- Joback Method
- McGowan Method
- NIST Webbook
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