- InChI
- InChI=1S/C15H26O2/c1-11(2)8-14(16)17-10-13-6-7-15(4,5)9-12(13)3/h6,11-12H,7-10H2,1-5H3/t12-/m0/s1
- InChI Key
- JRORWOFCFYWYNY-LBPRGKRZSA-N
- Formula
- C15H26O2
- SMILES
- CC(C)CC(=O)OCC1=CCC(C)(C)CC1C
- Molecular Weight1
- 238.37
- 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 | 0.5118 | Relay (1.0) Calculated Property | |
| ΔfG° | -129.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -557.59 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.31 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.67 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.73 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.25 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.958 | Crippen Calculated Property | |
| McVol | 214.490 | ml/mol | McGowan Calculated Property |
| Pc | 1786.37 | kPa | Joback Calculated Property |
| Inp | 1520.00 | NIST | |
| I | 1788.00 | NIST | |
| Tboil | 506.00 | K | Relay (1.0) Calculated Property |
| Tc | 723.44 | K | Relay (1.0) Calculated Property |
| Tfus | 261.70 | K | Relay (1.0) Calculated Property |
| Vc | 0.766 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [591.64; 698.00] | J/mol×K | [637.71; 842.17] | 
|
| Cp,gas | 591.64 | J/mol×K | 637.71 | Joback Calculated Property |
| Cp,gas | 611.49 | J/mol×K | 671.79 | Joback Calculated Property |
| Cp,gas | 630.38 | J/mol×K | 705.86 | Joback Calculated Property |
| Cp,gas | 648.39 | J/mol×K | 739.94 | Joback Calculated Property |
| Cp,gas | 665.60 | J/mol×K | 774.02 | Joback Calculated Property |
| Cp,gas | 682.11 | J/mol×K | 808.09 | Joback Calculated Property |
| Cp,gas | 698.00 | J/mol×K | 842.17 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to «beta»-Isocyclolavandulyl isovalerate.
Sources
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