- InChI
- InChI=1S/C10H16O2/c1-6(2)5-7-8(9(11)12)10(7,3)4/h5,7-8H,1-4H3,(H,11,12)
- InChI Key
- XLOPRKKSAJMMEW-UHFFFAOYSA-N
- Formula
- C10H16O2
- SMILES
- CC(C)=CC1C(C(=O)O)C1(C)C
- Molecular Weight1
- 168.23
- CAS
- 4638-92-0
- Other Names
-
- Chrysanthemic 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.
- 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° | -120.91 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -359.75 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 20.21 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.46 | kJ/mol | Joback Calculated Property |
| log10WS | -2.13 | Crippen Calculated Property | |
| logPoct/wat | 2.309 | Crippen Calculated Property | |
| McVol | 144.040 | ml/mol | McGowan Calculated Property |
| Pc | 2899.85 | kPa | Joback Calculated Property |
| Inp | [1343.20; 1343.20] |
|
|
| Inp | 1343.20 | NIST | |
| Inp | 1343.20 | NIST | |
| Tboil | 575.93 | K | Joback Calculated Property |
| Tc | 769.15 | K | Joback Calculated Property |
| Tfus | 327.53 | K | Joback Calculated Property |
| Vc | 0.554 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [370.33; 439.13] | J/mol×K | [575.93; 769.15] |
|
| Cp,gas | 370.33 | J/mol×K | 575.93 | Joback Calculated Property |
| Cp,gas | 383.28 | J/mol×K | 608.13 | Joback Calculated Property |
| Cp,gas | 395.50 | J/mol×K | 640.34 | Joback Calculated Property |
| Cp,gas | 407.10 | J/mol×K | 672.54 | Joback Calculated Property |
| Cp,gas | 418.17 | J/mol×K | 704.74 | Joback Calculated Property |
| Cp,gas | 428.81 | J/mol×K | 736.94 | Joback Calculated Property |
| Cp,gas | 439.13 | J/mol×K | 769.15 | Joback Calculated Property |
Similar Compounds
Sources
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