- InChI
- InChI=1S/C14H24O2/c1-10(2)13(15)16-9-12-6-7-14(4,5)8-11(12)3/h10H,6-9H2,1-5H3
- InChI Key
- MPXQTTNSJUOAST-UHFFFAOYSA-N
- Formula
- C14H24O2
- SMILES
- CC1=C(COC(=O)C(C)C)CCC(C)(C)C1
- 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 | 0.4824 | Relay (1.0) Calculated Property | |
| ΔfG° | -139.70 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -470.02 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.26 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.83 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.65 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.38 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.712 | Crippen Calculated Property | |
| McVol | 200.400 | ml/mol | McGowan Calculated Property |
| Pc | 1971.80 | kPa | Joback Calculated Property |
| Inp | [1432.00; 1432.00] |
|
|
| Inp | 1432.00 | NIST | |
| Inp | 1432.00 | NIST | |
| I | [1702.00; 1702.00] |
|
|
| I | 1702.00 | NIST | |
| I | 1702.00 | NIST | |
| Tboil | 513.43 | K | Relay (1.0) Calculated Property |
| Tc | 715.87 | K | Relay (1.0) Calculated Property |
| Tfus | 265.90 | K | Relay (1.0) Calculated Property |
| Vc | 0.720 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [536.65; 637.28] | J/mol×K | [624.48; 833.00] |
|
| Cp,gas | 536.65 | J/mol×K | 624.48 | Joback Calculated Property |
| Cp,gas | 555.42 | J/mol×K | 659.23 | Joback Calculated Property |
| Cp,gas | 573.27 | J/mol×K | 693.99 | Joback Calculated Property |
| Cp,gas | 590.29 | J/mol×K | 728.74 | Joback Calculated Property |
| Cp,gas | 606.58 | J/mol×K | 763.50 | Joback Calculated Property |
| Cp,gas | 622.21 | J/mol×K | 798.25 | Joback Calculated Property |
| Cp,gas | 637.28 | J/mol×K | 833.00 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to «beta»-Cyclolavandulyl isobutyrate.
Sources
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