- InChI
- InChI=1S/C10H16O2/c1-8(2)5-4-6-9(3)7-10(11)12/h5,7H,4,6H2,1-3H3,(H,11,12)/b9-7+
- InChI Key
- ZHYZQXUYZJNEHD-VQHVLOKHSA-N
- Formula
- C10H16O2
- SMILES
- CC(C)=CCCC(C)=CC(=O)O
- Molecular Weight1
- 168.23
- CAS
- 459-80-3
- Other Names
-
- 2,6-Octadienoic acid, 3,7-dimethyl-
- 3,7-Dimethyl-2,6-octadienoic acid
- 3,7-dimethylocta-2,6-dienoic acid
- 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.
- I : 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° | -89.08 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -299.68 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 25.13 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.36 | kJ/mol | Joback Calculated Property |
| log10WS | -2.81 | Crippen Calculated Property | |
| logPoct/wat | 2.764 | Crippen Calculated Property | |
| McVol | 150.600 | ml/mol | McGowan Calculated Property |
| Pc | 2744.03 | kPa | Joback Calculated Property |
| Inp | [1343.00; 1355.40] |
|
|
| Inp | 1355.40 | NIST | |
| Inp | 1343.00 | NIST | |
| Inp | 1343.00 | NIST | |
| I | [2347.00; 2356.00] |
|
|
| I | 2347.00 | NIST | |
| I | 2356.00 | NIST | |
| I | 2347.00 | NIST | |
| Tboil | 582.33 | K | Joback Calculated Property |
| Tc | 767.56 | K | Joback Calculated Property |
| Tfus | 275.13 | K | Joback Calculated Property |
| Vc | 0.583 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [362.94; 424.77] | J/mol×K | [582.33; 767.56] |
|
| Cp,gas | 362.94 | J/mol×K | 582.33 | Joback Calculated Property |
| Cp,gas | 374.66 | J/mol×K | 613.20 | Joback Calculated Property |
| Cp,gas | 385.77 | J/mol×K | 644.07 | Joback Calculated Property |
| Cp,gas | 396.30 | J/mol×K | 674.94 | Joback Calculated Property |
| Cp,gas | 406.28 | J/mol×K | 705.82 | Joback Calculated Property |
| Cp,gas | 415.76 | J/mol×K | 736.69 | Joback Calculated Property |
| Cp,gas | 424.77 | J/mol×K | 767.56 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Geranic acid.
Sources
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