- InChI
- InChI=1S/C12H20O2/c1-5-14-12(13)9-11(4)8-6-7-10(2)3/h7,9H,5-6,8H2,1-4H3/b11-9+
- InChI Key
- ZPKNTCZTABQJPS-PKNBQFBNSA-N
- Formula
- C12H20O2
- SMILES
- CCOC(=O)C=C(C)CCC=C(C)C
- Molecular Weight1
- 196.29
- CAS
- 32659-21-5
- Other Names
-
- 2,6-Octadienoic acid, 3,7-dimethyl-, ethyl ester, (E)-
- (E)-3,7-Dimethyl-2,6-octadienoic acid, ethyl ester
- Ethyl (2E)-3,7-dimethyl-2,6-octadienoate
- E-Ethyl geranate
- Ethyl (E)-3,7-dimethylocta-2,6-dienoate
- Ethyl trans-geraniate
- 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 | 0.5123 | Relay (... Calculated Property | |
| ΔfG° | -40.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -448.15 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 27.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.74 | kJ/mol | Relay (... Calculated Property |
| IE | 8.54 | eV | Relay (... Calculated Property |
| log10WS | -3.71 | Relay (... Calculated Property | |
| logPoct/wat | 3.242 | Crippen Calculated Property | |
| McVol | 178.780 | ml/mol | McGowan Calculated Property |
| Pc | 2047.46 | kPa | Joback Calculated Property |
| Inp | [1332.00; 1399.00] |
|
|
| Inp | 1347.00 | NIST | |
| Inp | 1354.00 | NIST | |
| Inp | 1399.00 | NIST | |
| Inp | 1332.00 | NIST | |
| Inp | 1332.00 | NIST | |
| I | [1762.00; 1762.00] |
|
|
| I | 1762.00 | NIST | |
| I | 1762.00 | NIST | |
| Tboil | 505.95 | K | Relay (... Calculated Property |
| Tc | 680.62 | K | Relay (... Calculated Property |
| Tfus | 221.24 | K | Relay (... Calculated Property |
| Vc | 0.641 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [426.65; 508.12] | J/mol×K | [558.33; 748.06] |
|
| Cp,gas | 426.65 | J/mol×K | 558.33 | Joback Calculated Property |
| Cp,gas | 442.01 | J/mol×K | 589.95 | Joback Calculated Property |
| Cp,gas | 456.62 | J/mol×K | 621.57 | Joback Calculated Property |
| Cp,gas | 470.50 | J/mol×K | 653.20 | Joback Calculated Property |
| Cp,gas | 483.69 | J/mol×K | 684.82 | Joback Calculated Property |
| Cp,gas | 496.22 | J/mol×K | 716.44 | Joback Calculated Property |
| Cp,gas | 508.12 | J/mol×K | 748.06 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Ethyl geranate.
Sources
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