- InChI
- InChI=1S/C18H33NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(20)19-16-14-15-22-18(16)21/h16H,2-15H2,1H3,(H,19,20)
- InChI Key
- ZQAYHOXXVBVXPZ-UHFFFAOYSA-N
- Formula
- C18H33NO3
- SMILES
- CCCCCCCCCCCCCC(=O)NC1CCOC1=O
- Molecular Weight1
- 311.46
- CAS
- 98206-80-5
- 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 | 0.9163 | Relay (1.0) Calculated Property | |
| ΔfG° | -111.01 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -793.39 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 50.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 109.92 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.35 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.98 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.119 | Crippen Calculated Property | |
| McVol | 272.610 | ml/mol | McGowan Calculated Property |
| Pc | 1409.07 | kPa | Joback Calculated Property |
| Inp | [2598.60; 2598.60] |
|
|
| Inp | 2598.60 | NIST | |
| Inp | 2598.60 | NIST | |
| Tboil | 626.83 | K | Relay (1.0) Calculated Property |
| Tc | 854.38 | K | Relay (1.0) Calculated Property |
| Tfus | 370.60 | K | Relay (1.0) Calculated Property |
| Vc | 1.032 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [893.98; 984.62] | J/mol×K | [825.33; 1023.92] |
|
| Cp,gas | 893.98 | J/mol×K | 825.33 | Joback Calculated Property |
| Cp,gas | 911.95 | J/mol×K | 858.43 | Joback Calculated Property |
| Cp,gas | 928.75 | J/mol×K | 891.53 | Joback Calculated Property |
| Cp,gas | 944.38 | J/mol×K | 924.62 | Joback Calculated Property |
| Cp,gas | 958.89 | J/mol×K | 957.72 | Joback Calculated Property |
| Cp,gas | 972.30 | J/mol×K | 990.82 | Joback Calculated Property |
| Cp,gas | 984.62 | J/mol×K | 1023.92 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to N-Tetradecanoyl-DL-homoserine lactone.
Sources
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