- InChI
- InChI=1S/C13H22O2/c1-5-13(14)15-10-9-12(4)8-6-7-11(2)3/h7,9H,5-6,8,10H2,1-4H3/b12-9+
- InChI Key
- BYCHQEILESTMQU-FMIVXFBMSA-N
- Formula
- C13H22O2
- SMILES
- CCC(=O)OCC=C(C)CCC=C(C)C
- Molecular Weight1
- 210.31
- CAS
- 105-90-8
- Other Names
-
- 2,6-Octadien-1-ol, 3,7-dimethyl-, propanoate, (E)-
- 2,6-Octadien-1-ol, 3,7-dimethyl-, propionate, (E)-
- trans-3,7-Dimethyl-2,6-octadienyl propionate
- Geranyl n-propionate
- Geranyl n-propanoate
- Geranyl propanoate
- (2E)-3,7-Dimethyl-2,6-octadienyl propionate
- 2,6-Octadien-1-ol, 3,7-dimethyl-, 1-propanoate, (2E)-
- Propionic acid, geranyl ester
- (E)-3,7-Dimethyl-2,6-octadien-1-ol propanoate
- 2,6-Octadien-1-ol, 3,7-dimethyl-, propanoate, (2E)-
- 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 | 0.5133 | Relay (1.0) Calculated Property | |
| ΔfG° | -32.00 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -471.03 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 30.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.74 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.35 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.75 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.632 | Crippen Calculated Property | |
| McVol | 192.870 | ml/mol | McGowan Calculated Property |
| Pc | 1880.53 | kPa | Joback Calculated Property |
| Inp | [1424.00; 1487.00] |
|
|
| Inp | 1449.80 | NIST | |
| Inp | 1449.00 | NIST | |
| Inp | 1453.00 | NIST | |
| Inp | 1448.00 | NIST | |
| Inp | 1447.00 | NIST | |
| Inp | 1449.00 | NIST | |
| Inp | 1446.00 | NIST | |
| Inp | 1447.00 | NIST | |
| Inp | 1475.00 | NIST | |
| Inp | 1447.00 | NIST | |
| Inp | 1448.00 | NIST | |
| Inp | 1430.00 | NIST | |
| Inp | 1478.00 | NIST | |
| Inp | 1476.00 | NIST | |
| Inp | 1451.00 | NIST | |
| Inp | 1444.00 | NIST | |
| Inp | 1479.00 | NIST | |
| Inp | 1475.00 | NIST | |
| Inp | 1444.00 | NIST | |
| Inp | 1475.00 | NIST | |
| Inp | 1450.00 | NIST | |
| Inp | 1478.00 | NIST | |
| Inp | 1475.00 | NIST | |
| Inp | 1485.00 | NIST | |
| Inp | 1473.00 | NIST | |
| Inp | 1487.00 | NIST | |
| Inp | 1452.00 | NIST | |
| Inp | 1475.00 | NIST | |
| Inp | 1451.00 | NIST | |
| Inp | 1448.00 | NIST | |
| Inp | 1447.00 | NIST | |
| Inp | 1477.00 | NIST | |
| Inp | 1453.00 | NIST | |
| Inp | 1478.00 | NIST | |
| Inp | 1461.00 | NIST | |
| Inp | Outlier 1424.00 | NIST | |
| Inp | 1447.00 | NIST | |
| Inp | Outlier 1425.00 | NIST | |
| Inp | 1447.00 | NIST | |
| Inp | 1478.00 | NIST | |
| Inp | 1452.00 | NIST | |
| I | [1770.00; 1834.00] |
|
|
| I | 1819.00 | NIST | |
| I | 1834.00 | NIST | |
| I | 1817.00 | NIST | |
| I | 1823.00 | NIST | |
| I | 1814.00 | NIST | |
| I | 1830.00 | NIST | |
| I | 1802.00 | NIST | |
| I | 1815.00 | NIST | |
| I | Outlier 1770.00 | NIST | |
| I | 1799.00 | NIST | |
| I | 1814.00 | NIST | |
| I | 1828.00 | NIST | |
| I | 1830.00 | NIST | |
| I | 1827.00 | NIST | |
| I | 1827.00 | NIST | |
| I | 1812.00 | NIST | |
| I | 1799.00 | NIST | |
| I | 1800.00 | NIST | |
| I | 1819.00 | NIST | |
| I | 1817.00 | NIST | |
| I | 1812.00 | NIST | |
| Tboil | 518.38 | K | Relay (1.0) Calculated Property |
| Tc | 687.61 | K | Relay (1.0) Calculated Property |
| Tfus | 222.44 | K | Relay (1.0) Calculated Property |
| Vc | 0.692 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [476.11; 560.96] | J/mol×K | [581.21; 768.75] |
|
| Cp,gas | 476.11 | J/mol×K | 581.21 | Joback Calculated Property |
| Cp,gas | 492.09 | J/mol×K | 612.47 | Joback Calculated Property |
| Cp,gas | 507.29 | J/mol×K | 643.72 | Joback Calculated Property |
| Cp,gas | 521.75 | J/mol×K | 674.98 | Joback Calculated Property |
| Cp,gas | 535.49 | J/mol×K | 706.24 | Joback Calculated Property |
| Cp,gas | 548.55 | J/mol×K | 737.49 | Joback Calculated Property |
| Cp,gas | 560.96 | J/mol×K | 768.75 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Geranyl propionate.
Sources
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