- InChI
- InChI=1S/C17H28O2/c1-7-17(6,19-16(5)18)13-9-12-15(4)11-8-10-14(2)3/h7,10,12H,1,8-9,11,13H2,2-6H3/b15-12+
- InChI Key
- PRNJXUQTUSFYLV-NTCAYCPXSA-N
- Formula
- C17H28O2
- SMILES
-
C=CC(C)(CCC=C(C)CCC=C(C)C)OC(C
)=O - Molecular Weight1
- 264.40
- CAS
- 85611-33-2
- Other Names
-
- E-Nerolidyl acetate
- 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.
- 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° | 92.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -307.47 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 31.66 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.70 | kJ/mol | Joback Calculated Property |
| log10WS | -5.47 | Crippen Calculated Property | |
| logPoct/wat | 4.967 | Crippen Calculated Property | |
| McVol | 244.930 | ml/mol | McGowan Calculated Property |
| Pc | 1446.83 | kPa | Joback Calculated Property |
| Inp | [1677.00; 1735.00] |
|
|
| Inp | 1713.00 | NIST | |
| Inp | 1735.00 | NIST | |
| Inp | 1715.00 | NIST | |
| Inp | 1714.00 | NIST | |
| Inp | 1677.00 | NIST | |
| Inp | 1720.00 | NIST | |
| Inp | 1693.00 | NIST | |
| Inp | 1715.00 | NIST | |
| Inp | 1712.00 | NIST | |
| Inp | 1713.00 | NIST | |
| Inp | 1681.00 | NIST | |
| Inp | 1704.00 | NIST | |
| Inp | 1704.00 | NIST | |
| Inp | 1681.00 | NIST | |
| Inp | 1715.00 | NIST | |
| Inp | 1713.00 | NIST | |
| Tboil | 666.18 | K | Joback Calculated Property |
| Tc | 858.25 | K | Joback Calculated Property |
| Tfus | 316.09 | K | Joback Calculated Property |
| Vc | 0.944 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [667.79; 761.92] | J/mol×K | [666.18; 858.25] |
|
| Cp,gas | 667.79 | J/mol×K | 666.18 | Joback Calculated Property |
| Cp,gas | 685.72 | J/mol×K | 698.19 | Joback Calculated Property |
| Cp,gas | 702.68 | J/mol×K | 730.20 | Joback Calculated Property |
| Cp,gas | 718.71 | J/mol×K | 762.22 | Joback Calculated Property |
| Cp,gas | 733.89 | J/mol×K | 794.23 | Joback Calculated Property |
| Cp,gas | 748.27 | J/mol×K | 826.24 | Joback Calculated Property |
| Cp,gas | 761.92 | J/mol×K | 858.25 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to trans-Nerolidyl Acetate.
Sources
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