- InChI
- InChI=1S/C14H24O2/c1-5-7-14(15)16-11-10-13(4)9-6-8-12(2)3/h8,10H,5-7,9,11H2,1-4H3/b13-10+
- InChI Key
- ZSBOMYJPSRFZAL-JLHYYAGUSA-N
- Formula
- C14H24O
- SMILES
- CCCC(=O)OCC=C(C)CCC=C(C)C
- Molecular Weight1
- 208.34
- CAS
- 106-29-6
- Other Names
-
- Butyric acid, 3,7-dimethyl-2,6-octadienyl ester, (E)-
- Geraniol butyrate
- Geranyl butyrate
- Geranyl butanoate
- Geranyl n-butyrate
- n-Butyric acid, geranyl ester
- 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 | 0.5594 | Relay (1.0) Calculated Property | |
| ΔfG° | -23.58 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -496.78 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 32.59 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.15 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.30 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.16 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.022 | Crippen Calculated Property | |
| McVol | 206.960 | ml/mol | McGowan Calculated Property |
| Pc | 1733.22 | kPa | Joback Calculated Property |
| Inp | [1523.00; 1570.00] |
|
|
| Inp | 1565.00 | NIST | |
| Inp | 1531.00 | NIST | |
| Inp | 1531.00 | NIST | |
| Inp | 1531.00 | NIST | |
| Inp | 1534.00 | NIST | |
| Inp | 1534.00 | NIST | |
| Inp | 1534.00 | NIST | |
| Inp | 1532.00 | NIST | |
| Inp | 1529.00 | NIST | |
| Inp | 1562.00 | NIST | |
| Inp | 1534.00 | NIST | |
| Inp | 1534.00 | NIST | |
| Inp | 1534.00 | NIST | |
| Inp | 1532.00 | NIST | |
| Inp | 1535.00 | NIST | |
| Inp | 1564.00 | NIST | |
| Inp | 1543.00 | NIST | |
| Inp | 1562.00 | NIST | |
| Inp | 1562.00 | NIST | |
| Inp | 1559.00 | NIST | |
| Inp | 1534.00 | NIST | |
| Inp | 1555.00 | NIST | |
| Inp | 1570.00 | NIST | |
| Inp | 1537.00 | NIST | |
| Inp | 1565.00 | NIST | |
| Inp | 1536.90 | NIST | |
| Inp | 1540.00 | NIST | |
| Inp | 1554.00 | NIST | |
| Inp | 1562.00 | NIST | |
| Inp | 1539.40 | NIST | |
| Inp | 1542.60 | NIST | |
| Inp | 1563.60 | NIST | |
| Inp | 1564.00 | NIST | |
| Inp | 1564.00 | NIST | |
| Inp | 1534.00 | NIST | |
| Inp | 1549.00 | NIST | |
| Inp | 1565.00 | NIST | |
| Inp | 1556.00 | NIST | |
| Inp | 1562.00 | NIST | |
| Inp | 1564.00 | NIST | |
| Inp | 1523.00 | NIST | |
| Inp | 1566.00 | NIST | |
| Inp | 1544.00 | NIST | |
| Inp | 1563.00 | NIST | |
| Inp | 1558.00 | NIST | |
| Inp | 1558.00 | NIST | |
| Inp | 1549.00 | NIST | |
| Inp | 1534.00 | NIST | |
| Inp | 1540.00 | NIST | |
| Inp | 1529.00 | NIST | |
| Inp | 1531.00 | NIST | |
| Inp | 1544.00 | NIST | |
| Inp | 1530.00 | NIST | |
| Inp | 1562.00 | NIST | |
| Inp | 1562.00 | NIST | |
| Inp | 1532.00 | NIST | |
| Inp | 1544.00 | NIST | |
| Inp | 1544.00 | NIST | |
| I | [1833.00; 1907.00] |
|
|
| I | 1904.00 | NIST | |
| I | 1906.00 | NIST | |
| I | 1907.00 | NIST | |
| I | 1889.00 | NIST | |
| I | Outlier 1833.00 | NIST | |
| I | Outlier 1836.00 | NIST | |
| I | 1877.00 | NIST | |
| I | 1877.00 | NIST | |
| I | 1888.00 | NIST | |
| I | 1872.00 | NIST | |
| I | 1872.00 | NIST | |
| I | 1900.00 | NIST | |
| I | 1890.00 | NIST | |
| I | 1871.00 | NIST | |
| I | 1872.00 | NIST | |
| I | 1901.00 | NIST | |
| I | 1901.00 | NIST | |
| I | 1904.00 | NIST | |
| Tboil | 528.54 | K | Relay (1.0) Calculated Property |
| Tc | 700.85 | K | Relay (1.0) Calculated Property |
| Tfus | 209.88 | K | Relay (1.0) Calculated Property |
| Vc | 0.744 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [527.13; 614.97] | J/mol×K | [604.09; 789.66] |
|
| Cp,gas | 527.13 | J/mol×K | 604.09 | Joback Calculated Property |
| Cp,gas | 543.66 | J/mol×K | 635.02 | Joback Calculated Property |
| Cp,gas | 559.39 | J/mol×K | 665.95 | Joback Calculated Property |
| Cp,gas | 574.35 | J/mol×K | 696.87 | Joback Calculated Property |
| Cp,gas | 588.58 | J/mol×K | 727.80 | Joback Calculated Property |
| Cp,gas | 602.10 | J/mol×K | 758.73 | Joback Calculated Property |
| Cp,gas | 614.97 | J/mol×K | 789.66 | Joback Calculated Property |
| ΔvapH | 68.60 | kJ/mol | 450.00 | NIST |
Similar Compounds
Find more compounds similar to Butanoic acid, 3,7-dimethyl-2,6-octadienyl ester, (E)-.
Sources
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