- InChI
- InChI=1S/C12H21NO3/c1-2-3-4-5-6-7-11(14)13-10-8-9-16-12(10)15/h10H,2-9H2,1H3,(H,13,14)
- InChI Key
- JKEJEOJPJVRHMQ-UHFFFAOYSA-N
- Formula
- C12H21NO3
- SMILES
- CCCCCCCC(=O)NC1CCOC1=O
- Molecular Weight1
- 227.30
- CAS
- 106983-30-6
- 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 | 0.7009 | Relay (1.0) Calculated Property | |
| ΔfG° | -161.53 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -668.83 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 34.96 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.48 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.27 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.85 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.779 | Crippen Calculated Property | |
| McVol | 188.070 | ml/mol | McGowan Calculated Property |
| Pc | 2293.71 | kPa | Joback Calculated Property |
| Inp | [1958.90; 1958.90] |
|
|
| Inp | 1958.90 | NIST | |
| Inp | 1958.90 | NIST | |
| Tboil | 583.40 | K | Relay (1.0) Calculated Property |
| Tc | 799.91 | K | Relay (1.0) Calculated Property |
| Tfus | 363.83 | K | Relay (1.0) Calculated Property |
| Vc | 0.701 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [550.73; 635.67] | J/mol×K | [688.05; 893.95] |
|
| Cp,gas | 550.73 | J/mol×K | 688.05 | Joback Calculated Property |
| Cp,gas | 567.31 | J/mol×K | 722.37 | Joback Calculated Property |
| Cp,gas | 582.90 | J/mol×K | 756.68 | Joback Calculated Property |
| Cp,gas | 597.52 | J/mol×K | 791.00 | Joback Calculated Property |
| Cp,gas | 611.18 | J/mol×K | 825.32 | Joback Calculated Property |
| Cp,gas | 623.89 | J/mol×K | 859.63 | Joback Calculated Property |
| Cp,gas | 635.67 | J/mol×K | 893.95 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to N-Capryloyl-DL-homoserine lactone.
Sources
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