- InChI
- InChI=1S/C12H22O2/c1-10(2)6-4-3-5-7-11-8-9-12(13)14-11/h10-11H,3-9H2,1-2H3
- InChI Key
- ORWDJDTZZDDVQQ-UHFFFAOYSA-N
- Formula
- C12H22O2
- SMILES
- CC(C)CCCCCC1CCC(=O)O1
- Molecular Weight1
- 198.30
- 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 | 0.6015 | Relay (1.0) Calculated Property | |
| ΔfG° | -124.44 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -558.87 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 24.74 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.16 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.78 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.86 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.298 | Crippen Calculated Property | |
| McVol | 176.520 | ml/mol | McGowan Calculated Property |
| Pc | 2151.31 | kPa | Joback Calculated Property |
| Inp | 1659.00 | NIST | |
| Tboil | 584.93 | K | Relay (1.0) Calculated Property |
| Tc | 748.07 | K | Relay (1.0) Calculated Property |
| Tfus | 254.16 | K | Relay (1.0) Calculated Property |
| Vc | 0.665 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [470.27; 570.01] | J/mol×K | [583.57; 786.19] | 
|
| Cp,gas | 470.27 | J/mol×K | 583.57 | Joback Calculated Property |
| Cp,gas | 489.20 | J/mol×K | 617.34 | Joback Calculated Property |
| Cp,gas | 507.19 | J/mol×K | 651.11 | Joback Calculated Property |
| Cp,gas | 524.26 | J/mol×K | 684.88 | Joback Calculated Property |
| Cp,gas | 540.41 | J/mol×K | 718.65 | Joback Calculated Property |
| Cp,gas | 555.66 | J/mol×K | 752.42 | Joback Calculated Property |
| Cp,gas | 570.01 | J/mol×K | 786.19 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 10-Methylundecan-4-olide.
Sources
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