- InChI
- InChI=1S/C11H20O2/c1-3-4-5-6-8-11(2)9-7-10(12)13-11/h3-9H2,1-2H3
- InChI Key
- ALWUKGXLBSQSMA-UHFFFAOYSA-N
- Formula
- C11H20O2
- SMILES
- CCCCCCC1(C)CCC(=O)O1
- Molecular Weight1
- 184.28
- 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.
- I : 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 | 0.5569 | Relay (1.0) Calculated Property | |
| ΔfG° | -135.91 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -538.25 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.37 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.97 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.75 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.02 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.053 | Crippen Calculated Property | |
| McVol | 162.430 | ml/mol | McGowan Calculated Property |
| Pc | 2443.48 | kPa | Joback Calculated Property |
| Inp | [1450.00; 1450.00] |
|
|
| Inp | 1450.00 | NIST | |
| Inp | 1450.00 | NIST | |
| I | [2060.00; 2060.00] |
|
|
| I | 2060.00 | NIST | |
| I | 2060.00 | NIST | |
| Tboil | 554.92 | K | Relay (1.0) Calculated Property |
| Tc | 722.08 | K | Relay (1.0) Calculated Property |
| Tfus | 239.28 | K | Relay (1.0) Calculated Property |
| Vc | 0.610 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [418.15; 512.41] | J/mol×K | [561.37; 770.73] |
|
| Cp,gas | 418.15 | J/mol×K | 561.37 | Joback Calculated Property |
| Cp,gas | 435.86 | J/mol×K | 596.26 | Joback Calculated Property |
| Cp,gas | 452.67 | J/mol×K | 631.16 | Joback Calculated Property |
| Cp,gas | 468.64 | J/mol×K | 666.05 | Joback Calculated Property |
| Cp,gas | 483.86 | J/mol×K | 700.94 | Joback Calculated Property |
| Cp,gas | 498.42 | J/mol×K | 735.84 | Joback Calculated Property |
| Cp,gas | 512.41 | J/mol×K | 770.73 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Methyl-4-decanolide.
Sources
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