- InChI
- InChI=1S/C12H18O2/c1-2-3-4-5-6-8-11-9-7-10-12(13)14-11/h6-8,10-11H,2-5,9H2,1H3/b8-6-
- InChI Key
- DSPGZXFLJQTNDA-VURMDHGXSA-N
- Formula
- C12H18O2
- SMILES
- CCCCCC=CC1CC=CC(=O)O1
- Molecular Weight1
- 194.27
- CAS
- 64543-31-3
- 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° | -23.92 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -331.39 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.58 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.74 | kJ/mol | Joback Calculated Property |
| log10WS | -3.42 | Crippen Calculated Property | |
| logPoct/wat | 2.995 | Crippen Calculated Property | |
| McVol | 167.920 | ml/mol | McGowan Calculated Property |
| Pc | 2377.22 | kPa | Joback Calculated Property |
| Inp | 1666.00 | NIST | |
| I | 2515.00 | NIST | |
| Tboil | 591.60 | K | Joback Calculated Property |
| Tc | 807.55 | K | Joback Calculated Property |
| Tfus | 322.85 | K | Joback Calculated Property |
| Vc | 0.634 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [431.62; 524.87] | J/mol×K | [591.60; 807.55] | 
|
| Cp,gas | 431.62 | J/mol×K | 591.60 | Joback Calculated Property |
| Cp,gas | 449.61 | J/mol×K | 627.59 | Joback Calculated Property |
| Cp,gas | 466.60 | J/mol×K | 663.58 | Joback Calculated Property |
| Cp,gas | 482.60 | J/mol×K | 699.57 | Joback Calculated Property |
| Cp,gas | 497.63 | J/mol×K | 735.56 | Joback Calculated Property |
| Cp,gas | 511.72 | J/mol×K | 771.55 | Joback Calculated Property |
| Cp,gas | 524.87 | J/mol×K | 807.55 | Joback Calculated Property |
Similar Compounds
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Sources
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