- InChI
- InChI=1S/C12H22O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h11H,1,5-9H2,2-4H3
- InChI Key
- WNXJCQNXNOOMDJ-UHFFFAOYSA-N
- Formula
- C12H22O2
- SMILES
- C=C(C)CCCC(C)CCOC(C)=O
- Molecular Weight1
- 198.30
- CAS
- 141-11-7
- Other Names
-
- rhodinyl acetate
- 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.
- 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 |
|---|---|---|---|
| ω | 0.5785 | Relay (1.0) Calculated Property | |
| ΔfG° | -106.91 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -541.53 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 23.51 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.21 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.05 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.57 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.322 | Crippen Calculated Property | |
| McVol | 183.080 | ml/mol | McGowan Calculated Property |
| Pc | 1942.37 | kPa | Joback Calculated Property |
| Inp | [1266.00; 1266.00] |
|
|
| Inp | 1266.00 | NIST | |
| Inp | 1266.00 | NIST | |
| I | [1660.00; 1660.00] |
|
|
| I | 1660.00 | NIST | |
| I | 1660.00 | NIST | |
| Tboil | 507.85 | K | Relay (1.0) Calculated Property |
| Tc | 672.46 | K | Relay (1.0) Calculated Property |
| Tfus | 222.53 | K | Relay (1.0) Calculated Property |
| Vc | 0.656 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [444.43; 528.96] | J/mol×K | [546.37; 725.06] |
|
| Cp,gas | 444.43 | J/mol×K | 546.37 | Joback Calculated Property |
| Cp,gas | 460.15 | J/mol×K | 576.15 | Joback Calculated Property |
| Cp,gas | 475.20 | J/mol×K | 605.93 | Joback Calculated Property |
| Cp,gas | 489.59 | J/mol×K | 635.71 | Joback Calculated Property |
| Cp,gas | 503.34 | J/mol×K | 665.50 | Joback Calculated Property |
| Cp,gas | 516.46 | J/mol×K | 695.28 | Joback Calculated Property |
| Cp,gas | 528.96 | J/mol×K | 725.06 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to «alpha»-Citronellyl acetate.
Sources
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