- InChI
- InChI=1S/C14H22O2/c1-9(2)13(15)16-8-10-5-6-11-7-12(10)14(11,3)4/h5,9,11-12H,6-8H2,1-4H3
- InChI Key
- HPAQTXNDJUZELN-UHFFFAOYSA-N
- Formula
- C14H22O2
- SMILES
- CC(C)C(=O)OCC1=CCC2CC1C2(C)C
- Molecular Weight1
- 222.32
- CAS
- 29021-37-2
- Other Names
-
- Myrtenyl isobutyrate
- 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 | 0.4620 | Relay (1.0) Calculated Property | |
| ΔfG° | -52.83 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -427.11 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.06 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.41 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.74 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.58 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.178 | Crippen Calculated Property | |
| McVol | 189.540 | ml/mol | McGowan Calculated Property |
| Pc | 2085.03 | kPa | Joback Calculated Property |
| Inp | [1466.40; 1466.40] |
|
|
| Inp | 1466.40 | NIST | |
| Inp | 1466.40 | NIST | |
| Tboil | 516.04 | K | Relay (1.0) Calculated Property |
| Tc | 771.81 | K | Relay (1.0) Calculated Property |
| Tfus | 296.56 | K | Relay (1.0) Calculated Property |
| Vc | 0.666 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [520.27; 617.93] | J/mol×K | [613.03; 821.06] |
|
| Cp,gas | 520.27 | J/mol×K | 613.03 | Joback Calculated Property |
| Cp,gas | 538.61 | J/mol×K | 647.70 | Joback Calculated Property |
| Cp,gas | 555.96 | J/mol×K | 682.37 | Joback Calculated Property |
| Cp,gas | 572.43 | J/mol×K | 717.04 | Joback Calculated Property |
| Cp,gas | 588.17 | J/mol×K | 751.72 | Joback Calculated Property |
| Cp,gas | 603.29 | J/mol×K | 786.39 | Joback Calculated Property |
| Cp,gas | 617.93 | J/mol×K | 821.06 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-pinen-10-yl isobutyrate.
Sources
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