- InChI
- InChI=1S/C8H13NO3/c1-2-3-7(10)9-6-4-5-12-8(6)11/h6H,2-5H2,1H3,(H,9,10)
- InChI Key
- VFFNZZXXTGXBOG-UHFFFAOYSA-N
- Formula
- C8H13NO3
- SMILES
- CCCC(=O)NC1CCOC1=O
- Molecular Weight1
- 171.19
- CAS
- 98426-48-3
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -195.21 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -476.78 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.60 | kJ/mol | Joback Calculated Property |
| log10WS | -1.00 | Crippen Calculated Property | |
| logPoct/wat | 0.218 | Crippen Calculated Property | |
| McVol | 131.710 | ml/mol | McGowan Calculated Property |
| Pc | 3443.98 | kPa | Joback Calculated Property |
| Inp | [1530.00; 1530.00] |
|
|
| Inp | 1530.00 | NIST | |
| Inp | 1530.00 | NIST | |
| Tboil | 596.53 | K | Joback Calculated Property |
| Tc | 815.90 | K | Joback Calculated Property |
| Tfus | 388.20 | K | Joback Calculated Property |
| Vc | 0.493 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [345.90; 420.12] | J/mol×K | [596.53; 815.90] |
|
| Cp,gas | 345.90 | J/mol×K | 596.53 | Joback Calculated Property |
| Cp,gas | 360.30 | J/mol×K | 633.09 | Joback Calculated Property |
| Cp,gas | 373.89 | J/mol×K | 669.65 | Joback Calculated Property |
| Cp,gas | 386.67 | J/mol×K | 706.21 | Joback Calculated Property |
| Cp,gas | 398.63 | J/mol×K | 742.78 | Joback Calculated Property |
| Cp,gas | 409.78 | J/mol×K | 779.34 | Joback Calculated Property |
| Cp,gas | 420.12 | J/mol×K | 815.90 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to N-Butyryl-DL-homoserine lactone.
Sources
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