- InChI
- InChI=1S/C15H24O2/c1-11(2)9-15(16)17-10-13(4)14-7-5-12(3)6-8-14/h5,11,14H,4,6-10H2,1-3H3
- InChI Key
- YKJANZVKQMMPTB-UHFFFAOYSA-N
- Formula
- C15H24O2
- SMILES
- C=C(COC(=O)CC(C)C)C1CC=C(C)CC1
- Molecular Weight1
- 236.35
- 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.
- 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 | 0.5135 | Relay (1.0) Calculated Property | |
| ΔfG° | -36.87 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -425.48 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 23.95 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.80 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.64 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.94 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.878 | Crippen Calculated Property | |
| McVol | 210.190 | ml/mol | McGowan Calculated Property |
| Pc | 1840.41 | kPa | Joback Calculated Property |
| Inp | 1625.00 | NIST | |
| Tboil | 539.00 | K | Relay (1.0) Calculated Property |
| Tc | 742.16 | K | Relay (1.0) Calculated Property |
| Tfus | 263.12 | K | Relay (1.0) Calculated Property |
| Vc | 0.733 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [570.32; 670.19] | J/mol×K | [638.70; 843.15] | 
|
| Cp,gas | 570.32 | J/mol×K | 638.70 | Joback Calculated Property |
| Cp,gas | 589.59 | J/mol×K | 672.78 | Joback Calculated Property |
| Cp,gas | 607.78 | J/mol×K | 706.85 | Joback Calculated Property |
| Cp,gas | 624.91 | J/mol×K | 740.93 | Joback Calculated Property |
| Cp,gas | 641.00 | J/mol×K | 775.00 | Joback Calculated Property |
| Cp,gas | 656.08 | J/mol×K | 809.08 | Joback Calculated Property |
| Cp,gas | 670.19 | J/mol×K | 843.15 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,8(10)-p-Menthadien-9-yl 3-methylbutanoate.
Sources
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