- InChI
- InChI=1S/C12H22O2/c1-10(2)7-6-8-11(3)9-12(13-4)14-5/h7,9,12H,6,8H2,1-5H3/b11-9-
- InChI Key
- ZSKAJFSSXURRGL-LUAWRHEFSA-N
- Formula
- C12H22O2
- SMILES
- COC(C=C(C)CCC=C(C)C)OC
- Molecular Weight1
- 198.30
- 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° | -18.94 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -345.87 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 23.47 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.81 | kJ/mol | Joback Calculated Property |
| log10WS | -3.33 | Crippen Calculated Property | |
| logPoct/wat | 3.298 | Crippen Calculated Property | |
| McVol | 183.080 | ml/mol | McGowan Calculated Property |
| Pc | 1920.30 | kPa | Joback Calculated Property |
| Inp | 1300.40 | NIST | |
| Tboil | 526.44 | K | Joback Calculated Property |
| Tc | 710.27 | K | Joback Calculated Property |
| Tfus | 216.38 | K | Joback Calculated Property |
| Vc | 0.700 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [429.35; 517.86] | J/mol×K | [526.44; 710.27] | 
|
| Cp,gas | 429.35 | J/mol×K | 526.44 | Joback Calculated Property |
| Cp,gas | 445.83 | J/mol×K | 557.08 | Joback Calculated Property |
| Cp,gas | 461.59 | J/mol×K | 587.72 | Joback Calculated Property |
| Cp,gas | 476.65 | J/mol×K | 618.36 | Joback Calculated Property |
| Cp,gas | 491.03 | J/mol×K | 648.99 | Joback Calculated Property |
| Cp,gas | 504.77 | J/mol×K | 679.63 | Joback Calculated Property |
| Cp,gas | 517.86 | J/mol×K | 710.27 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to neral dimethyl acetal.
Sources
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