- InChI
- InChI=1S/C13H24O2/c1-15-13(14)12-10-8-6-4-2-3-5-7-9-11-12/h12H,2-11H2,1H3
- InChI Key
- WVHFSXDJALCJHN-UHFFFAOYSA-N
- Formula
- C13H24O2
- SMILES
- COC(=O)C1CCCCCCCCCC1
- Molecular Weight1
- 212.33
- CAS
- 3667-69-4
- Other Names
-
- Methyl cycloundecanecarboxylate
- 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.
- 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 | 0.3692 | Relay (1.0) Calculated Property | |
| ΔfG° | -211.39 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -573.19 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 13.55 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.65 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.64 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.89 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.690 | Crippen Calculated Property | |
| McVol | 190.610 | ml/mol | McGowan Calculated Property |
| Pc | 2289.32 | kPa | Joback Calculated Property |
| Inp | [1536.00; 1536.00] |
|
|
| Inp | 1536.00 | NIST | |
| Inp | 1536.00 | NIST | |
| Inp | 1536.00 | NIST | |
| Tboil | 551.99 | K | Relay (1.0) Calculated Property |
| Tc | 768.74 | K | Relay (1.0) Calculated Property |
| Tfus | 304.33 | K | Relay (1.0) Calculated Property |
| Vc | 0.628 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [517.12; 641.52] | J/mol×K | [614.03; 845.81] |
|
| Cp,gas | 517.12 | J/mol×K | 614.03 | Joback Calculated Property |
| Cp,gas | 541.80 | J/mol×K | 652.66 | Joback Calculated Property |
| Cp,gas | 564.94 | J/mol×K | 691.29 | Joback Calculated Property |
| Cp,gas | 586.50 | J/mol×K | 729.92 | Joback Calculated Property |
| Cp,gas | 606.46 | J/mol×K | 768.55 | Joback Calculated Property |
| Cp,gas | 624.81 | J/mol×K | 807.18 | Joback Calculated Property |
| Cp,gas | 641.52 | J/mol×K | 845.81 | Joback Calculated Property |
| η | [0.0000459; 0.0095342] | Pa×s | [298.21; 614.03] |
|
| η | 0.0095342 | Pa×s | 298.21 | Joback Calculated Property |
| η | 0.0020104 | Pa×s | 350.85 | Joback Calculated Property |
| η | 0.0006363 | Pa×s | 403.48 | Joback Calculated Property |
| η | 0.0002626 | Pa×s | 456.12 | Joback Calculated Property |
| η | 0.0001302 | Pa×s | 508.76 | Joback Calculated Property |
| η | 0.0000736 | Pa×s | 561.39 | Joback Calculated Property |
| η | 0.0000459 | Pa×s | 614.03 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cycloundecanecarboxylic acid, methyl ester.
Sources
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