- InChI
- InChI=1S/C12H22O/c1-5-13-10-9-12(4)8-6-7-11(2)3/h5,7,12H,1,6,8-10H2,2-4H3
- InChI Key
- PWCLCTUZQHYTKS-UHFFFAOYSA-N
- Formula
- C12H22O
- SMILES
- C=COCCC(C)CCC=C(C)C
- Molecular Weight1
- 182.30
- 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.
- 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 |
|---|---|---|---|
| ΔfG° | 102.23 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -195.65 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 22.11 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 43.70 | kJ/mol | Joback Calculated Property |
| log10WS | -3.89 | Crippen Calculated Property | |
| logPoct/wat | 3.919 | Crippen Calculated Property | |
| McVol | 177.210 | ml/mol | McGowan Calculated Property |
| Pc | 1923.67 | kPa | Joback Calculated Property |
| Inp | [1235.00; 1235.00] |
|
|
| Inp | 1235.00 | NIST | |
| Inp | 1235.00 | NIST | |
| I | 1445.00 | NIST | |
| Tboil | 496.66 | K | Joback Calculated Property |
| Tc | 673.95 | K | Joback Calculated Property |
| Tfus | 211.43 | K | Joback Calculated Property |
| Vc | 0.681 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [400.59; 488.65] | J/mol×K | [496.66; 673.95] |
|
| Cp,gas | 400.59 | J/mol×K | 496.66 | Joback Calculated Property |
| Cp,gas | 416.96 | J/mol×K | 526.21 | Joback Calculated Property |
| Cp,gas | 432.62 | J/mol×K | 555.76 | Joback Calculated Property |
| Cp,gas | 447.60 | J/mol×K | 585.30 | Joback Calculated Property |
| Cp,gas | 461.92 | J/mol×K | 614.85 | Joback Calculated Property |
| Cp,gas | 475.59 | J/mol×K | 644.40 | Joback Calculated Property |
| Cp,gas | 488.65 | J/mol×K | 673.95 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Citronellyl vinyl ether.
Sources
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