- InChI
- InChI=1S/C10H18O2/c1-8(2)5-4-6-9(3)7-10(11)12/h5,9H,4,6-7H2,1-3H3,(H,11,12)
- InChI Key
- GJWSUKYXUMVMGX-UHFFFAOYSA-N
- Formula
- C10H18O2
- SMILES
- CC(C)=CCCC(C)CC(=O)O
- Molecular Weight1
- 170.25
- Other Names
-
- Citronellic acid
- 3,7-Dimethyl-6-octenoic acid
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- IE : Ionization energy (eV).
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -533.56 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.71 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.82 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.76 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.844 | Crippen Calculated Property | |
| McVol | 154.900 | ml/mol | McGowan Calculated Property |
| Pc | 2608.40 | kPa | Joback Calculated Property |
| Inp | [1260.00; 1345.40] |
|
|
| Inp | 1340.80 | NIST | |
| Inp | 1345.40 | NIST | |
| Inp | 1260.00 | NIST | |
| Inp | 1312.00 | NIST | |
| Inp | 1314.00 | NIST | |
| Inp | 1305.00 | NIST | |
| Inp | 1287.00 | NIST | |
| Inp | 1300.00 | NIST | |
| Inp | 1287.00 | NIST | |
| I | [2232.00; 2257.00] |
|
|
| I | 2255.00 | NIST | |
| I | 2257.00 | NIST | |
| I | 2232.00 | NIST | |
| I | 2232.00 | NIST | |
| Tboil | 516.66 | K | Relay (1.0) Calculated Property |
| Tc | 696.73 | K | Relay (1.0) Calculated Property |
| Tfus | 276.75 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, 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 | [383.37; 449.16] | J/mol×K | [577.85; 756.62] |
|
| Cp,gas | 383.37 | J/mol×K | 577.85 | Joback Calculated Property |
| Cp,gas | 395.74 | J/mol×K | 607.65 | Joback Calculated Property |
| Cp,gas | 407.51 | J/mol×K | 637.44 | Joback Calculated Property |
| Cp,gas | 418.72 | J/mol×K | 667.24 | Joback Calculated Property |
| Cp,gas | 429.37 | J/mol×K | 697.03 | Joback Calculated Property |
| Cp,gas | 439.51 | J/mol×K | 726.83 | Joback Calculated Property |
| Cp,gas | 449.16 | J/mol×K | 756.62 | Joback Calculated Property |
| ΔvapH | 68.70 | kJ/mol | 451.00 | NIST |
Similar Compounds
Find more compounds similar to Citronellic acid.
Sources
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.