- InChI
- InChI=1S/C7H12O2/c1-2-3-6-4-5-7(8)9-6/h6H,2-5H2,1H3
- InChI Key
- VLSVVMPLPMNWBH-UHFFFAOYSA-N
- Formula
- C7H12O2
- SMILES
- CCCC1CCC(=O)O1
- Molecular Weight1
- 128.17
- CAS
- 105-21-5
- Other Names
-
- 1,4-Heptanolide
- 4-Heptanolide
- 4-Hydroxyheptanoic acid lactone
- 4-Hydroxyheptanoic acid, «gamma»-lactone
- 5-Propyldihydro-2(3H)-furanone
- Heptan-4-olide
- Heptanoic acid, 4-hydroxy-, «gamma»-lactone
- Heptanolide-4,1
- NSC 46097
- dihydro-5-propyl-2(3H)-furanone
- «gamma»-Heptalactone
- «gamma»-Heptanolactone
- «gamma»-Heptanolide
- «gamma»-Propiobutyrolactone
- «gamma»-Propyl-«gamma»-butyrolactone
- 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.
- I : 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 |
|---|---|---|---|
| ΔfG° | -164.10 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -397.03 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 15.31 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.30 ± 0.30 | kJ/mol | NIST |
| log10WS | -1.62 | Crippen Calculated Property | |
| logPoct/wat | 1.492 | Crippen Calculated Property | |
| McVol | 106.070 | ml/mol | McGowan Calculated Property |
| Pc | 3526.27 | kPa | Joback Calculated Property |
| Inp | [1101.00; 1172.00] |
|
|
| Inp | 1103.00 | NIST | |
| Inp | 1127.00 | NIST | |
| Inp | 1128.00 | NIST | |
| Inp | 1172.00 | NIST | |
| Inp | 1113.00 | NIST | |
| Inp | 1155.00 | NIST | |
| Inp | 1157.00 | NIST | |
| Inp | 1159.00 | NIST | |
| Inp | 1103.00 | NIST | |
| Inp | 1163.00 | NIST | |
| Inp | 1163.00 | NIST | |
| Inp | 1101.00 | NIST | |
| Inp | 1103.00 | NIST | |
| I | [1755.00; 1817.00] |
|
|
| I | 1767.00 | NIST | |
| I | 1789.00 | NIST | |
| I | 1796.00 | NIST | |
| I | 1796.00 | NIST | |
| I | 1817.00 | NIST | |
| I | 1784.00 | NIST | |
| I | 1777.00 | NIST | |
| I | 1811.00 | NIST | |
| I | 1755.00 | NIST | |
| I | 1766.00 | NIST | |
| I | 1797.00 | NIST | |
| I | 1784.00 | NIST | |
| I | 1785.00 | NIST | |
| I | 1803.00 | NIST | |
| I | 1764.00 | NIST | |
| I | 1811.00 | NIST | |
| I | 1785.00 | NIST | |
| I | 1803.00 | NIST | |
| Tboil | 469.61 | K | Joback Calculated Property |
| Tc | 683.50 | K | Joback Calculated Property |
| Tfus | 274.34 | K | Joback Calculated Property |
| Vc | 0.397 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [234.28; 310.83] | J/mol×K | [469.61; 683.50] |
|
| Cp,gas | 234.28 | J/mol×K | 469.61 | Joback Calculated Property |
| Cp,gas | 248.59 | J/mol×K | 505.26 | Joback Calculated Property |
| Cp,gas | 262.27 | J/mol×K | 540.91 | Joback Calculated Property |
| Cp,gas | 275.34 | J/mol×K | 576.56 | Joback Calculated Property |
| Cp,gas | 287.80 | J/mol×K | 612.21 | Joback Calculated Property |
| Cp,gas | 299.62 | J/mol×K | 647.86 | Joback Calculated Property |
| Cp,gas | 310.83 | J/mol×K | 683.50 | Joback Calculated Property |
| Pvap | [7.29e-03; 0.57] | kPa | [298.10; 363.20] |
|
| Pvap | 7.29e-03 | kPa | 298.10 | Vapour ... |
| Pvap | 0.01 | kPa | 302.80 | Vapour ... |
| Pvap | 0.02 | kPa | 308.00 | Vapour ... |
| Pvap | 0.02 | kPa | 313.10 | Vapour ... |
| Pvap | 0.03 | kPa | 318.00 | Vapour ... |
| Pvap | 0.05 | kPa | 323.10 | Vapour ... |
| Pvap | 0.07 | kPa | 328.10 | Vapour ... |
| Pvap | 0.09 | kPa | 333.00 | Vapour ... |
| Pvap | 0.13 | kPa | 338.20 | Vapour ... |
| Pvap | 0.18 | kPa | 343.20 | Vapour ... |
| Pvap | 0.24 | kPa | 348.20 | Vapour ... |
| Pvap | 0.32 | kPa | 353.20 | Vapour ... |
| Pvap | 0.44 | kPa | 358.40 | Vapour ... |
| Pvap | 0.57 | kPa | 363.20 | Vapour ... |
Similar Compounds
Find more compounds similar to 2(3H)-Furanone, dihydro-5-propyl-.
Sources
- Crippen Method
- Crippen Method
- Vapour pressures and enthalpies of vapourization of a series of the c-lactones
- Joback Method
- McGowan Method
- NIST Webbook
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