- InChI
- InChI=1S/C13H24O2/c1-3-11(2)7-5-4-6-8-12-9-10-13(14)15-12/h11-12H,3-10H2,1-2H3
- InChI Key
- PVESYPDFVMTIBG-UHFFFAOYSA-N
- Formula
- C13H24O2
- SMILES
- CCC(C)CCCCCC1CCC(=O)O1
- Molecular Weight1
- 212.33
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- 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 | 0.6263 | Relay (1.0) Calculated Property | |
| ΔfH°gas | -589.26 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 28.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.08 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 3.689 | Crippen Calculated Property | |
| McVol | 190.610 | ml/mol | McGowan Calculated Property |
| Pc | 1853.11 | kPa | Joback Calculated Property |
| Inp | [1773.00; 1773.00] |
|
|
| Inp | 1773.00 | NIST | |
| Inp | 1773.00 | NIST | |
| Tboil | 597.11 | K | Relay (1.0) Calculated Property |
| Tc | 767.79 | K | Relay (1.0) Calculated Property |
| Tfus | 238.82 | K | Relay (1.0) Calculated Property |
| Vc | 0.716 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Standard Gibbs free energy of formation, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [494.19; 587.80] | J/mol×K | [561.56; 741.65] |
|
| Cp,gas | 494.19 | J/mol×K | 561.56 | Joback Calculated Property |
| Cp,gas | 511.87 | J/mol×K | 591.58 | Joback Calculated Property |
| Cp,gas | 528.68 | J/mol×K | 621.59 | Joback Calculated Property |
| Cp,gas | 544.64 | J/mol×K | 651.61 | Joback Calculated Property |
| Cp,gas | 559.80 | J/mol×K | 681.62 | Joback Calculated Property |
| Cp,gas | 574.17 | J/mol×K | 711.64 | Joback Calculated Property |
| Cp,gas | 587.80 | J/mol×K | 741.65 | Joback Calculated Property |
| η | [0.0003273; 0.0042407] | Pa×s | [281.54; 561.56] |
|
| η | 0.0042407 | Pa×s | 281.54 | Joback Calculated Property |
| η | 0.0020428 | Pa×s | 328.21 | Joback Calculated Property |
| η | 0.0011803 | Pa×s | 374.88 | Joback Calculated Property |
| η | 0.0007700 | Pa×s | 421.55 | Joback Calculated Property |
| η | 0.0005470 | Pa×s | 468.22 | Joback Calculated Property |
| η | 0.0004134 | Pa×s | 514.89 | Joback Calculated Property |
| η | 0.0003273 | Pa×s | 561.56 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 10-Methyldodecan-4-olide.
Sources
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