- InChI
- InChI=1S/C11H18O2/c1-5-11(4,13-9-12)8-6-7-10(2)3/h5,7,9H,1,6,8H2,2-4H3
- InChI Key
- JZOCDHMHLGUPFI-UHFFFAOYSA-N
- Formula
- C11H18O2
- SMILES
- C=CC(C)(CCC=C(C)C)OC=O
- Molecular Weight1
- 182.26
- CAS
- 115-99-1
- Other Names
-
- Linalool, formate
- Linalyl formate
- Linolool, formate
- 3,7-Dimethyl-1,6-octadien-3-ol formate
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -0.43 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -264.06 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 47.28 | kJ/mol | Joback Calculated Property |
| log10WS | -3.11 | Crippen Calculated Property | |
| logPoct/wat | 2.850 | Crippen Calculated Property | |
| McVol | 164.690 | ml/mol | McGowan Calculated Property |
| Pc | 2269.73 | kPa | Joback Calculated Property |
| Inp | [1170.00; 1256.00] |
|
|
| Inp | 1201.70 | NIST | |
| Inp | 1177.00 | NIST | |
| Inp | 1177.00 | NIST | |
| Inp | 1200.00 | NIST | |
| Inp | 1219.00 | NIST | |
| Inp | 1207.00 | NIST | |
| Inp | 1206.00 | NIST | |
| Inp | 1215.40 | NIST | |
| Inp | 1215.40 | NIST | |
| Inp | 1199.00 | NIST | |
| Inp | 1170.00 | NIST | |
| Inp | Outlier 1256.00 | NIST | |
| Inp | 1199.00 | NIST | |
| Inp | 1239.00 | NIST | |
| Inp | 1216.00 | NIST | |
| Inp | 1206.00 | NIST | |
| Inp | 1206.00 | NIST | |
| Inp | 1201.70 | NIST | |
| Inp | 1215.40 | NIST | |
| Inp | 1206.00 | NIST | |
| Inp | Outlier 1256.00 | NIST | |
| I | [1553.00; 1579.00] |
|
|
| I | 1579.00 | NIST | |
| I | Outlier 1553.00 | NIST | |
| I | 1579.00 | NIST | |
| I | 1570.00 | NIST | |
| I | 1570.00 | NIST | |
| I | 1579.00 | NIST | |
| Tboil | 519.65 | K | Joback Calculated Property |
| Tc | 710.46 | K | Joback Calculated Property |
| Tfus | 259.58 | K | Joback Calculated Property |
| Vc | 0.637 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [381.84; 459.90] | J/mol×K | [519.65; 710.46] |
|
| Cp,gas | 381.84 | J/mol×K | 519.65 | Joback Calculated Property |
| Cp,gas | 396.77 | J/mol×K | 551.45 | Joback Calculated Property |
| Cp,gas | 410.87 | J/mol×K | 583.25 | Joback Calculated Property |
| Cp,gas | 424.20 | J/mol×K | 615.06 | Joback Calculated Property |
| Cp,gas | 436.79 | J/mol×K | 646.86 | Joback Calculated Property |
| Cp,gas | 448.67 | J/mol×K | 678.66 | Joback Calculated Property |
| Cp,gas | 459.90 | J/mol×K | 710.46 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,6-Octadien-3-ol, 3,7-dimethyl-, formate.
Sources
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that the value is more than 2 standard deviations away from the
property mean.