- InChI
- InChI=1S/C10H18O3/c1-8(7-9(11)12)5-4-6-10(2,3)13/h7,13H,4-6H2,1-3H3,(H,11,12)/b8-7+
- InChI Key
- VRNUANDJOCAWED-BQYQJAHWSA-N
- Formula
- C10H18O3
- SMILES
- CC(=CC(=O)O)CCCC(C)(C)O
- Molecular Weight1
- 186.25
- 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).
- 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° | -294.73 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -568.09 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 22.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.70 | kJ/mol | Joback Calculated Property |
| log10WS | -2.34 | Crippen Calculated Property | |
| logPoct/wat | 1.958 | Crippen Calculated Property | |
| McVol | 160.770 | ml/mol | McGowan Calculated Property |
| Pc | 2906.11 | kPa | Joback Calculated Property |
| I | 2836.00 | NIST | |
| Tboil | 667.24 | K | Joback Calculated Property |
| Tc | 845.41 | K | Joback Calculated Property |
| Tfus | 357.41 | K | Joback Calculated Property |
| Vc | 0.610 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [439.73; 495.27] | J/mol×K | [667.24; 845.41] | 
|
| Cp,gas | 439.73 | J/mol×K | 667.24 | Joback Calculated Property |
| Cp,gas | 450.27 | J/mol×K | 696.93 | Joback Calculated Property |
| Cp,gas | 460.24 | J/mol×K | 726.63 | Joback Calculated Property |
| Cp,gas | 469.69 | J/mol×K | 756.32 | Joback Calculated Property |
| Cp,gas | 478.66 | J/mol×K | 786.02 | Joback Calculated Property |
| Cp,gas | 487.17 | J/mol×K | 815.71 | Joback Calculated Property |
| Cp,gas | 495.27 | J/mol×K | 845.41 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to geranic acid hydrate.
Sources
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