- 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° | 27.17 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.57 | 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 | 2441.06 | 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 | 706.52 | K | Relay (1.0) Calculated Property |
| Tfus | 268.89 | 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 | [385.99; 456.93] | J/mol×K | [577.51; 772.66] |
|
| Cp,gas | 385.99 | J/mol×K | 577.51 | Joback Calculated Property |
| Cp,gas | 399.51 | J/mol×K | 610.04 | Joback Calculated Property |
| Cp,gas | 412.30 | J/mol×K | 642.56 | Joback Calculated Property |
| Cp,gas | 424.40 | J/mol×K | 675.09 | Joback Calculated Property |
| Cp,gas | 435.84 | J/mol×K | 707.61 | Joback Calculated Property |
| Cp,gas | 446.67 | J/mol×K | 740.14 | Joback Calculated Property |
| Cp,gas | 456.93 | J/mol×K | 772.66 | Joback Calculated Property |
| ΔvapH | 68.70 | kJ/mol | 451.00 | NIST |
Similar Compounds
Find more compounds similar to Citronellic acid.
Sources
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