- InChI
- InChI=1S/C11H18O2/c1-10(2)5-4-6-11(3)7-8-13-9-12/h5,7,9H,4,6,8H2,1-3H3/b11-7+
- InChI Key
- FQMZVFJYMPNUCT-YRNVUSSQSA-N
- Formula
- C11H18O2
- SMILES
- CC(C)=CCCC(C)=CCOC=O
- Molecular Weight1
- 182.26
- CAS
- 105-86-2
- Other Names
-
- 2,6-Octadien-1-ol, 3,7-dimethyl-, formate, (E)-
- Geraniol formate
- trans-3,7-Dimethyl-2,6-octadien-1-ol formate
- trans-3,7-Dimethyl-2,6-octadien-1-yl formate
- Formic acid, geraniol ester
- Formic acid, 3,7-dimethyl-2,6-octadienyl ester, (E)-
- (2E)-3,7-Dimethyl-2,6-octadienyl formate
- (E)-3,7-Dimethyl-2,6-octadien-1-ol formate
- 2,6-Octadien-1-ol, 3,7-dimethyl-, 1-formate, (2E)-
- 2,6-Octadien-1-ol, 3,7-dimethyl-, formate, (2E)-
- NSC 21736
- 3,7-Dimethyl-trans-2,6-octadienyl formate
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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 | 0.4649 | Relay (... Calculated Property | |
| ΔfG° | -19.44 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -379.42 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 25.51 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.59 | kJ/mol | Relay (... Calculated Property |
| IE | 8.78 | eV | Relay (... Calculated Property |
| log10WS | -3.40 | Relay (... Calculated Property | |
| logPoct/wat | 2.852 | Crippen Calculated Property | |
| McVol | 164.690 | ml/mol | McGowan Calculated Property |
| Pc | 2261.11 | kPa | Joback Calculated Property |
| Inp | [1234.00; 1329.00] |
|
|
| Inp | 1282.00 | NIST | |
| Inp | 1281.60 | NIST | |
| Inp | Outlier 1234.00 | NIST | |
| Inp | 1305.00 | NIST | |
| Inp | 1302.00 | NIST | |
| Inp | Outlier 1322.00 | NIST | |
| Inp | 1278.00 | NIST | |
| Inp | 1284.00 | NIST | |
| Inp | 1284.00 | NIST | |
| Inp | 1284.00 | NIST | |
| Inp | 1283.00 | NIST | |
| Inp | 1284.00 | NIST | |
| Inp | 1284.00 | NIST | |
| Inp | 1283.00 | NIST | |
| Inp | 1284.00 | NIST | |
| Inp | 1282.00 | NIST | |
| Inp | 1285.00 | NIST | |
| Inp | 1300.00 | NIST | |
| Inp | 1282.00 | NIST | |
| Inp | 1312.00 | NIST | |
| Inp | 1292.00 | NIST | |
| Inp | 1290.00 | NIST | |
| Inp | 1298.00 | NIST | |
| Inp | 1304.00 | NIST | |
| Inp | 1300.00 | NIST | |
| Inp | 1298.00 | NIST | |
| Inp | 1284.00 | NIST | |
| Inp | 1277.00 | NIST | |
| Inp | 1279.00 | NIST | |
| Inp | 1278.90 | NIST | |
| Inp | 1281.00 | NIST | |
| Inp | 1281.00 | NIST | |
| Inp | 1281.40 | NIST | |
| Inp | 1298.00 | NIST | |
| Inp | 1309.00 | NIST | |
| Inp | Outlier 1329.00 | NIST | |
| Inp | 1280.00 | NIST | |
| Inp | 1290.00 | NIST | |
| Inp | 1281.00 | NIST | |
| Inp | 1298.00 | NIST | |
| Inp | 1296.00 | NIST | |
| Inp | 1299.00 | NIST | |
| Inp | 1284.00 | NIST | |
| Inp | 1301.00 | NIST | |
| Inp | 1282.00 | NIST | |
| Inp | 1280.00 | NIST | |
| Inp | 1280.00 | NIST | |
| Inp | 1277.00 | NIST | |
| Inp | 1279.00 | NIST | |
| Inp | 1283.00 | NIST | |
| Inp | 1300.00 | NIST | |
| Inp | 1300.00 | NIST | |
| Inp | 1282.00 | NIST | |
| Inp | 1282.00 | NIST | |
| Inp | 1282.00 | NIST | |
| Inp | 1305.00 | NIST | |
| Inp | 1284.00 | NIST | |
| Inp | 1283.00 | NIST | |
| Inp | 1309.00 | NIST | |
| Inp | 1298.00 | NIST | |
| Inp | 1282.00 | NIST | |
| I | [1665.00; 1727.00] |
|
|
| I | 1727.00 | NIST | |
| I | 1717.00 | NIST | |
| I | 1721.00 | NIST | |
| I | 1698.00 | NIST | |
| I | 1688.00 | NIST | |
| I | 1686.00 | NIST | |
| I | 1703.00 | NIST | |
| I | 1691.00 | NIST | |
| I | 1684.00 | NIST | |
| I | 1695.00 | NIST | |
| I | Outlier 1665.00 | NIST | |
| I | 1681.00 | NIST | |
| I | 1709.00 | NIST | |
| I | 1710.00 | NIST | |
| I | 1684.00 | NIST | |
| I | 1718.00 | NIST | |
| I | 1684.00 | NIST | |
| I | 1727.00 | NIST | |
| I | 1686.00 | NIST | |
| I | 1691.00 | NIST | |
| I | 1709.00 | NIST | |
| Tboil | 501.91 | K | Relay (... Calculated Property |
| Tc | 664.82 | K | Relay (... Calculated Property |
| Tfus | 227.57 | K | Relay (... Calculated Property |
| Vc | 0.572 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [379.50; 455.48] | J/mol×K | [530.24; 717.87] |
|
| Cp,gas | 379.50 | J/mol×K | 530.24 | Joback Calculated Property |
| Cp,gas | 393.81 | J/mol×K | 561.51 | Joback Calculated Property |
| Cp,gas | 407.43 | J/mol×K | 592.78 | Joback Calculated Property |
| Cp,gas | 420.37 | J/mol×K | 624.05 | Joback Calculated Property |
| Cp,gas | 432.67 | J/mol×K | 655.33 | Joback Calculated Property |
| Cp,gas | 444.36 | J/mol×K | 686.60 | Joback Calculated Property |
| Cp,gas | 455.48 | J/mol×K | 717.87 | Joback Calculated Property |
| ΔvapH | 57.10 | kJ/mol | 418.50 | NIST |
Similar Compounds
Find more compounds similar to Geranyl formate.
Sources
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property mean.