- InChI
- InChI=1S/C11H20O2/c1-9(2)6-5-7-10(3)8-11(12)13-4/h6,10H,5,7-8H2,1-4H3
- InChI Key
- ZFLPOPCZMXGUOJ-UHFFFAOYSA-N
- Formula
- C11H20O2
- SMILES
- COC(=O)CC(C)CCC=C(C)C
- Molecular Weight1
- 184.28
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -122.95 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -413.02 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 22.40 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.89 | kJ/mol | Joback Calculated Property |
| log10WS | -2.90 | Crippen Calculated Property | |
| logPoct/wat | 2.932 | Crippen Calculated Property | |
| McVol | 168.990 | ml/mol | McGowan Calculated Property |
| Pc | 2137.41 | kPa | Joback Calculated Property |
| Inp | [1261.00; 1261.00] |
|
|
| Inp | 1261.00 | NIST | |
| Inp | 1261.00 | NIST | |
| Tboil | 530.97 | K | Joback Calculated Property |
| Tc | 715.64 | K | Joback Calculated Property |
| Tfus | 251.85 | K | Joback Calculated Property |
| Vc | 0.650 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [397.44; 478.75] | J/mol×K | [530.97; 715.64] |
|
| Cp,gas | 397.44 | J/mol×K | 530.97 | Joback Calculated Property |
| Cp,gas | 412.62 | J/mol×K | 561.75 | Joback Calculated Property |
| Cp,gas | 427.13 | J/mol×K | 592.53 | Joback Calculated Property |
| Cp,gas | 440.98 | J/mol×K | 623.31 | Joback Calculated Property |
| Cp,gas | 454.19 | J/mol×K | 654.08 | Joback Calculated Property |
| Cp,gas | 466.77 | J/mol×K | 684.86 | Joback Calculated Property |
| Cp,gas | 478.75 | J/mol×K | 715.64 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (S)-(-)-Citronellic acid, methyl ester.
Sources
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