- InChI
- InChI=1S/C16H26O2/c1-6-16(5,18-15(4)17)13-11-9-7-8-10-12-14(2)3/h6-7,9,12H,1,8,10-11,13H2,2-5H3/b9-7-
- InChI Key
- OXQJDWZQDFSBHW-CLFYSBASSA-N
- Formula
- C16H26O2
- SMILES
- C=CC(C)(CCC=CCCC=C(C)C)OC(C)=O
- Molecular Weight1
- 250.38
- 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° | 92.49 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -277.04 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 30.38 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.40 | kJ/mol | Joback Calculated Property |
| log10WS | -5.06 | Crippen Calculated Property | |
| logPoct/wat | 4.577 | Crippen Calculated Property | |
| McVol | 230.840 | ml/mol | McGowan Calculated Property |
| Pc | 1552.45 | kPa | Joback Calculated Property |
| Inp | [1626.00; 1675.00] |
|
|
| Inp | 1655.00 | NIST | |
| Inp | 1675.00 | NIST | |
| Inp | 1655.00 | NIST | |
| Inp | 1632.00 | NIST | |
| Inp | 1675.00 | NIST | |
| Inp | 1675.00 | NIST | |
| Inp | 1638.00 | NIST | |
| Inp | 1668.00 | NIST | |
| Inp | 1626.00 | NIST | |
| Inp | 1668.00 | NIST | |
| Tboil | 643.42 | K | Joback Calculated Property |
| Tc | 834.70 | K | Joback Calculated Property |
| Tfus | 318.78 | K | Joback Calculated Property |
| Vc | 0.886 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [613.76; 704.85] | J/mol×K | [643.42; 834.70] |
|
| Cp,gas | 613.76 | J/mol×K | 643.42 | Joback Calculated Property |
| Cp,gas | 631.14 | J/mol×K | 675.30 | Joback Calculated Property |
| Cp,gas | 647.57 | J/mol×K | 707.18 | Joback Calculated Property |
| Cp,gas | 663.09 | J/mol×K | 739.06 | Joback Calculated Property |
| Cp,gas | 677.77 | J/mol×K | 770.94 | Joback Calculated Property |
| Cp,gas | 691.67 | J/mol×K | 802.82 | Joback Calculated Property |
| Cp,gas | 704.85 | J/mol×K | 834.70 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (Z)-Nerolidol acetate.
Sources
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