- InChI
- InChI=1S/C20H36O2/c1-2-22-20(21)18-12-10-8-6-4-3-5-7-9-11-15-19-16-13-14-17-19/h13,16,19H,2-12,14-15,17-18H2,1H3/t19-/m0/s1
- InChI Key
- FDGHZUQYDACRTA-IBGZPJMESA-N
- Formula
- C20H36O2
- SMILES
- CCOC(=O)CCCCCCCCCCCCC1C=CCC1
- Molecular Weight1
- 308.50
- CAS
- 623-32-5
- Other Names
-
- 2-Cyclopentene-1-tridecanoic acid, ethyl ester, (S)-
- 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).
- 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).
- Tboilr : Boiling point at reduced pressure (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 |
|---|---|---|---|
| ΔfG° | -49.89 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -582.67 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 45.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.82 | kJ/mol | Joback Calculated Property |
| log10WS | -6.56 | Crippen Calculated Property | |
| logPoct/wat | 6.197 | Crippen Calculated Property | |
| McVol | 284.940 | ml/mol | McGowan Calculated Property |
| Pc | 1208.99 | kPa | Joback Calculated Property |
| Inp | [2256.50; 2256.50] |
|
|
| Inp | 2256.50 | NIST | |
| Inp | 2256.50 | NIST | |
| Tboil | 747.73 | K | Joback Calculated Property |
| Tc | 931.67 | K | Joback Calculated Property |
| Tfus | 398.98 | K | Joback Calculated Property |
| Vc | 1.107 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [876.62; 980.58] | J/mol×K | [747.73; 931.67] |
|
| Cp,gas | 876.62 | J/mol×K | 747.73 | Joback Calculated Property |
| Cp,gas | 896.49 | J/mol×K | 778.39 | Joback Calculated Property |
| Cp,gas | 915.29 | J/mol×K | 809.04 | Joback Calculated Property |
| Cp,gas | 933.07 | J/mol×K | 839.70 | Joback Calculated Property |
| Cp,gas | 949.85 | J/mol×K | 870.35 | Joback Calculated Property |
| Cp,gas | 965.68 | J/mol×K | 901.01 | Joback Calculated Property |
| Cp,gas | 980.58 | J/mol×K | 931.67 | Joback Calculated Property |
| η | [0.0001137; 0.0018300] | Pa×s | [398.98; 747.73] |
|
| η | 0.0018300 | Pa×s | 398.98 | Joback Calculated Property |
| η | 0.0008579 | Pa×s | 457.10 | Joback Calculated Property |
| η | 0.0004772 | Pa×s | 515.23 | Joback Calculated Property |
| η | 0.0002989 | Pa×s | 573.36 | Joback Calculated Property |
| η | 0.0002041 | Pa×s | 631.48 | Joback Calculated Property |
| η | 0.0001486 | Pa×s | 689.61 | Joback Calculated Property |
| η | 0.0001137 | Pa×s | 747.73 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 503.20 | K | 2.70 | NIST |
Similar Compounds
Find more compounds similar to ethyl 13-(cyclopent-2-enyl)tridecanoate.
Sources
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