- InChI
- InChI=1S/C10H17NO3/c1-2-3-4-5-9(12)11-8-6-7-14-10(8)13/h8H,2-7H2,1H3,(H,11,12)
- InChI Key
- ZJFKKPDLNLCPNP-UHFFFAOYSA-N
- Formula
- C10H17NO3
- SMILES
- CCCCCC(=O)NC1CCOC1=O
- Molecular Weight1
- 199.25
- CAS
- 106983-28-2
- 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 | 0.6241 | Relay (1.0) Calculated Property | |
| ΔfG° | -178.37 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -625.65 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 29.78 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.31 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.30 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.95 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.998 | Crippen Calculated Property | |
| McVol | 159.890 | ml/mol | McGowan Calculated Property |
| Pc | 2781.78 | kPa | Joback Calculated Property |
| Inp | 1741.50 | NIST | |
| Tboil | 564.66 | K | Relay (1.0) Calculated Property |
| Tc | 777.53 | K | Relay (1.0) Calculated Property |
| Tfus | 366.62 | K | Relay (1.0) Calculated Property |
| Vc | 0.590 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [445.44; 526.04] | J/mol×K | [642.29; 854.30] | 
|
| Cp,gas | 445.44 | J/mol×K | 642.29 | Joback Calculated Property |
| Cp,gas | 461.12 | J/mol×K | 677.62 | Joback Calculated Property |
| Cp,gas | 475.90 | J/mol×K | 712.96 | Joback Calculated Property |
| Cp,gas | 489.77 | J/mol×K | 748.29 | Joback Calculated Property |
| Cp,gas | 502.75 | J/mol×K | 783.63 | Joback Calculated Property |
| Cp,gas | 514.84 | J/mol×K | 818.96 | Joback Calculated Property |
| Cp,gas | 526.04 | J/mol×K | 854.30 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to N-Hexanoyl-DL-homoserine lactone.
Sources
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