- InChI
- InChI=1S/C12H22O3/c1-11(13)9-7-5-3-4-6-8-10-12(14)15-2/h3-10H2,1-2H3
- InChI Key
- TXRMRSKJQBFMRQ-UHFFFAOYSA-N
- Formula
- C12H22O3
- SMILES
- COC(=O)CCCCCCCCC(C)=O
- Molecular Weight1
- 214.30
- CAS
- 18993-09-4
- Other Names
-
- Methyl 10-oxoundecanoate
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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 | 0.7199 | Relay (1.0) Calculated Property | |
| ΔfG° | -312.68 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -713.51 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 31.22 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.72 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.14 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.74 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.869 | Crippen Calculated Property | |
| McVol | 188.950 | ml/mol | McGowan Calculated Property |
| Pc | 1956.14 | kPa | Joback Calculated Property |
| Inp | 1572.00 | NIST | |
| I | 2200.00 | NIST | |
| Tboil | 546.07 | K | Relay (1.0) Calculated Property |
| Tc | 724.01 | K | Relay (1.0) Calculated Property |
| Tfus | 299.29 | K | Relay (1.0) Calculated Property |
| Vc | 0.717 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [488.75; 567.63] | J/mol×K | [604.12; 781.95] | 
|
| Cp,gas | 488.75 | J/mol×K | 604.12 | Joback Calculated Property |
| Cp,gas | 503.49 | J/mol×K | 633.76 | Joback Calculated Property |
| Cp,gas | 517.57 | J/mol×K | 663.40 | Joback Calculated Property |
| Cp,gas | 531.02 | J/mol×K | 693.04 | Joback Calculated Property |
| Cp,gas | 543.84 | J/mol×K | 722.67 | Joback Calculated Property |
| Cp,gas | 556.04 | J/mol×K | 752.31 | Joback Calculated Property |
| Cp,gas | 567.63 | J/mol×K | 781.95 | Joback Calculated Property |
| η | [0.0001937; 0.0024044] | Pa×s | [347.09; 604.12] |
|
| η | 0.0024044 | Pa×s | 347.09 | Joback Calculated Property |
| η | 0.0012547 | Pa×s | 389.93 | Joback Calculated Property |
| η | 0.0007447 | Pa×s | 432.77 | Joback Calculated Property |
| η | 0.0004856 | Pa×s | 475.61 | Joback Calculated Property |
| η | 0.0003398 | Pa×s | 518.44 | Joback Calculated Property |
| η | 0.0002511 | Pa×s | 561.28 | Joback Calculated Property |
| η | 0.0001937 | Pa×s | 604.12 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Undecanoic acid, 10-oxo-, methyl ester.
Sources
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