- InChI
- InChI=1S/C12H22O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h8,10H,5-7,9H2,1-4H3/b11-8+
- InChI Key
- LZLOAANJNAQPIH-DHZHZOJOSA-N
- Formula
- C12H22O2
- SMILES
- CC(=O)OCC=C(C)CCCC(C)C
- Molecular Weight1
- 198.30
- 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 | 0.5296 | Relay (1.0) Calculated Property | |
| ΔfG° | -114.53 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -547.48 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 24.99 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.59 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.73 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.86 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.322 | Crippen Calculated Property | |
| McVol | 183.080 | ml/mol | McGowan Calculated Property |
| Pc | 1959.60 | kPa | Joback Calculated Property |
| Inp | [1332.20; 1332.20] |
|
|
| Inp | 1332.20 | NIST | |
| Inp | 1332.20 | NIST | |
| Tboil | 503.71 | K | Relay (1.0) Calculated Property |
| Tc | 672.21 | K | Relay (1.0) Calculated Property |
| Tfus | 216.66 | K | Relay (1.0) Calculated Property |
| Vc | 0.659 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [445.83; 530.86] | J/mol×K | [553.85; 736.57] |
|
| Cp,gas | 445.83 | J/mol×K | 553.85 | Joback Calculated Property |
| Cp,gas | 461.72 | J/mol×K | 584.30 | Joback Calculated Property |
| Cp,gas | 476.90 | J/mol×K | 614.76 | Joback Calculated Property |
| Cp,gas | 491.38 | J/mol×K | 645.21 | Joback Calculated Property |
| Cp,gas | 505.19 | J/mol×K | 675.66 | Joback Calculated Property |
| Cp,gas | 518.34 | J/mol×K | 706.11 | Joback Calculated Property |
| Cp,gas | 530.86 | J/mol×K | 736.57 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to dihydrogeranyl acetate.
Sources
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