- InChI
- InChI=1S/C16H29NO3/c1-2-3-4-5-6-7-8-9-10-11-15(18)17-14-12-13-20-16(14)19/h14H,2-13H2,1H3,(H,17,18)
- InChI Key
- WILLZMOKUUPJSL-UHFFFAOYSA-N
- Formula
- C16H29NO3
- SMILES
- CCCCCCCCCCCC(=O)NC1CCOC1=O
- Molecular Weight1
- 283.41
- CAS
- 18627-38-8
- 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 | 0.8455 | Relay (1.0) Calculated Property | |
| ΔfG° | -127.85 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -751.40 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 45.32 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 101.59 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.30 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.33 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.339 | Crippen Calculated Property | |
| McVol | 244.430 | ml/mol | McGowan Calculated Property |
| Pc | 1636.45 | kPa | Joback Calculated Property |
| Inp | 2384.80 | NIST | |
| Tboil | 613.43 | K | Relay (1.0) Calculated Property |
| Tc | 838.17 | K | Relay (1.0) Calculated Property |
| Tfus | 368.10 | K | Relay (1.0) Calculated Property |
| Vc | 0.923 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [775.67; 865.17] | J/mol×K | [779.57; 978.40] | 
|
| Cp,gas | 775.67 | J/mol×K | 779.57 | Joback Calculated Property |
| Cp,gas | 793.29 | J/mol×K | 812.71 | Joback Calculated Property |
| Cp,gas | 809.81 | J/mol×K | 845.85 | Joback Calculated Property |
| Cp,gas | 825.23 | J/mol×K | 878.98 | Joback Calculated Property |
| Cp,gas | 839.58 | J/mol×K | 912.12 | Joback Calculated Property |
| Cp,gas | 852.89 | J/mol×K | 945.26 | Joback Calculated Property |
| Cp,gas | 865.17 | J/mol×K | 978.40 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to N-Dodecanoyl-DL-homoserine lactone.
Sources
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