- InChI
- InChI=1S/C11H18O2/c1-9(2)6-5-7-10(3)8-11(12)13-4/h6,8H,5,7H2,1-4H3/b10-8-
- InChI Key
- ACOBBFVLNKYODD-NTMALXAHSA-N
- Formula
- C11H18O2
- SMILES
- COC(=O)C=C(C)CCC=C(C)C
- Molecular Weight1
- 182.26
- CAS
- 1862-61-9
- Other Names
-
- cis-Geranic acid methyl ester
- cis-2,6-Octadienoic Acid, 3,7-dimethyl-, methyl ester
- Methyl nerolate
- Z-Methyl geranate
- (Z)-Geranic acid, methyl ester
- methyl (Z)-3,7-dimethylocta-2,6-dienoate
- 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 | 0.4795 | Relay (... Calculated Property | |
| ΔfG° | -48.84 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -406.14 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 24.82 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.11 | kJ/mol | Relay (... Calculated Property |
| IE | 8.69 | eV | Relay (... Calculated Property |
| log10WS | -3.30 | Relay (... Calculated Property | |
| logPoct/wat | 2.852 | Crippen Calculated Property | |
| McVol | 164.690 | ml/mol | McGowan Calculated Property |
| Pc | 2237.64 | kPa | Joback Calculated Property |
| Inp | [1259.00; 1302.00] |
|
|
| Inp | 1279.00 | NIST | |
| Inp | 1283.00 | NIST | |
| Inp | 1302.00 | NIST | |
| Inp | 1280.00 | NIST | |
| Inp | 1259.00 | NIST | |
| Inp | 1298.00 | NIST | |
| Inp | 1279.00 | NIST | |
| I | 1657.00 | NIST | |
| Tboil | 487.87 | K | Relay (... Calculated Property |
| Tc | 673.28 | K | Relay (... Calculated Property |
| Tfus | 232.92 | K | Relay (... Calculated Property |
| Vc | 0.584 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [378.86; 456.47] | J/mol×K | [535.45; 727.53] |
|
| Cp,gas | 378.86 | J/mol×K | 535.45 | Joback Calculated Property |
| Cp,gas | 393.51 | J/mol×K | 567.46 | Joback Calculated Property |
| Cp,gas | 407.43 | J/mol×K | 599.48 | Joback Calculated Property |
| Cp,gas | 420.66 | J/mol×K | 631.49 | Joback Calculated Property |
| Cp,gas | 433.22 | J/mol×K | 663.51 | Joback Calculated Property |
| Cp,gas | 445.15 | J/mol×K | 695.52 | Joback Calculated Property |
| Cp,gas | 456.47 | J/mol×K | 727.53 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,6-Octadienoic acid, 3,7-dimethyl-, methyl ester, (Z)-.
Sources
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