- InChI
- InChI=1S/C9H14O2/c1-7(2)8(3)5-4-6-9(10)11/h4,6-7H,3,5H2,1-2H3,(H,10,11)/b6-4-
- InChI Key
- FYIGSCYMEXOWNZ-XQRVVYSFSA-N
- Formula
- C9H14O2
- SMILES
- C=C(CC=CC(=O)O)C(C)C
- Molecular Weight1
- 154.21
- 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° | -83.77 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -266.32 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.84 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.03 | kJ/mol | Joback Calculated Property |
| log10WS | -2.15 | Crippen Calculated Property | |
| logPoct/wat | 2.229 | Crippen Calculated Property | |
| McVol | 136.510 | ml/mol | McGowan Calculated Property |
| Pc | 3018.96 | kPa | Joback Calculated Property |
| Inp | 1345.00 | NIST | |
| Tboil | 551.65 | K | Joback Calculated Property |
| Tc | 735.35 | K | Joback Calculated Property |
| Tfus | 266.14 | K | Joback Calculated Property |
| Vc | 0.520 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [316.97; 374.88] | J/mol×K | [551.65; 735.35] | 
|
| Cp,gas | 316.97 | J/mol×K | 551.65 | Joback Calculated Property |
| Cp,gas | 327.96 | J/mol×K | 582.27 | Joback Calculated Property |
| Cp,gas | 338.37 | J/mol×K | 612.88 | Joback Calculated Property |
| Cp,gas | 348.25 | J/mol×K | 643.50 | Joback Calculated Property |
| Cp,gas | 357.60 | J/mol×K | 674.11 | Joback Calculated Property |
| Cp,gas | 366.47 | J/mol×K | 704.73 | Joback Calculated Property |
| Cp,gas | 374.88 | J/mol×K | 735.35 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Novalic acid.
Sources
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