- InChI
- InChI=1S/C14H24O2/c1-10(2)12-6-8-14(5,9-7-12)16-13(15)11(3)4/h11-12H,1,6-9H2,2-5H3
- InChI Key
- RKHBOAQGLKSIAH-UHFFFAOYSA-N
- Formula
- C14H24O2
- SMILES
- C=C(C)C1CCC(C)(OC(=O)C(C)C)CC1
- Molecular Weight1
- 224.34
- 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° | -78.82 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -417.51 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 15.30 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.91 | kJ/mol | Joback Calculated Property |
| log10WS | -3.92 | Crippen Calculated Property | |
| logPoct/wat | 3.711 | Crippen Calculated Property | |
| McVol | 200.400 | ml/mol | McGowan Calculated Property |
| Pc | 1985.89 | kPa | Joback Calculated Property |
| Inp | [1402.40; 1402.40] |
|
|
| Inp | 1402.40 | NIST | |
| Inp | 1402.40 | NIST | |
| Tboil | 607.25 | K | Joback Calculated Property |
| Tc | 819.60 | K | Joback Calculated Property |
| Tfus | 316.02 | K | Joback Calculated Property |
| Vc | 0.750 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [537.01; 645.46] | J/mol×K | [607.25; 819.60] |
|
| Cp,gas | 537.01 | J/mol×K | 607.25 | Joback Calculated Property |
| Cp,gas | 557.52 | J/mol×K | 642.64 | Joback Calculated Property |
| Cp,gas | 576.91 | J/mol×K | 678.03 | Joback Calculated Property |
| Cp,gas | 595.30 | J/mol×K | 713.43 | Joback Calculated Property |
| Cp,gas | 612.79 | J/mol×K | 748.82 | Joback Calculated Property |
| Cp,gas | 629.47 | J/mol×K | 784.21 | Joback Calculated Property |
| Cp,gas | 645.46 | J/mol×K | 819.60 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to «beta»-terpinyl isobutyrate.
Sources
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