- InChI
- InChI=1S/C14H24O2/c1-10(2)13(15)16-9-12-6-7-14(4,5)8-11(12)3/h6,10-11H,7-9H2,1-5H3/t11-/m0/s1
- InChI Key
- QTBRAZDTZAOKEV-NSHDSACASA-N
- Formula
- C14H24O2
- SMILES
- CC(C)C(=O)OCC1=CCC(C)(C)CC1C
- Molecular Weight1
- 224.34
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.4638 | Relay (1.0) Calculated Property | |
| ΔfG° | -137.78 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -523.93 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.72 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.21 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.82 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.83 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.568 | Crippen Calculated Property | |
| McVol | 200.400 | ml/mol | McGowan Calculated Property |
| Pc | 1940.65 | kPa | Joback Calculated Property |
| Inp | [1418.00; 1418.00] |
|
|
| Inp | 1418.00 | NIST | |
| Inp | 1418.00 | NIST | |
| I | [1691.00; 1691.00] |
|
|
| I | 1691.00 | NIST | |
| I | 1691.00 | NIST | |
| Tboil | 502.41 | K | Relay (1.0) Calculated Property |
| Tc | 710.76 | K | Relay (1.0) Calculated Property |
| Tfus | 261.53 | K | Relay (1.0) Calculated Property |
| Vc | 0.718 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [538.02; 641.79] | J/mol×K | [614.83; 822.36] |
|
| Cp,gas | 538.02 | J/mol×K | 614.83 | Joback Calculated Property |
| Cp,gas | 557.47 | J/mol×K | 649.42 | Joback Calculated Property |
| Cp,gas | 575.94 | J/mol×K | 684.01 | Joback Calculated Property |
| Cp,gas | 593.52 | J/mol×K | 718.60 | Joback Calculated Property |
| Cp,gas | 610.30 | J/mol×K | 753.19 | Joback Calculated Property |
| Cp,gas | 626.36 | J/mol×K | 787.78 | Joback Calculated Property |
| Cp,gas | 641.79 | J/mol×K | 822.36 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to «beta»-Isocyclolavandulyl isobutyrate.
Sources
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