- InChI
- InChI=1S/C13H22O2/c1-6-11(3)9-8-10-13(5,7-2)15-12(4)14/h7,9H,2,6,8,10H2,1,3-5H3/b11-9+
- InChI Key
- IVSZEHYDOLAREK-PKNBQFBNSA-N
- Formula
- C13H22O2
- SMILES
- C=CC(C)(CCC=C(C)CC)OC(C)=O
- Molecular Weight1
- 210.31
- CAS
- 61931-80-4
- Other Names
-
- 1,6-Nonadien-3-ol, 3,7-dimethyl-, 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° | -12.99 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -332.34 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 22.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.76 | kJ/mol | Joback Calculated Property |
| log10WS | -3.95 | Crippen Calculated Property | |
| logPoct/wat | 3.631 | Crippen Calculated Property | |
| McVol | 192.870 | ml/mol | McGowan Calculated Property |
| Pc | 1887.08 | kPa | Joback Calculated Property |
| Inp | [1344.00; 1346.00] |
|
|
| Inp | 1344.00 | NIST | |
| Inp | 1346.00 | NIST | |
| Inp | 1344.00 | NIST | |
| Tboil | 570.62 | K | Joback Calculated Property |
| Tc | 761.16 | K | Joback Calculated Property |
| Tfus | 290.05 | K | Joback Calculated Property |
| Vc | 0.739 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [478.02; 564.56] | J/mol×K | [570.62; 761.16] |
|
| Cp,gas | 478.02 | J/mol×K | 570.62 | Joback Calculated Property |
| Cp,gas | 494.53 | J/mol×K | 602.38 | Joback Calculated Property |
| Cp,gas | 510.14 | J/mol×K | 634.13 | Joback Calculated Property |
| Cp,gas | 524.91 | J/mol×K | 665.89 | Joback Calculated Property |
| Cp,gas | 538.88 | J/mol×K | 697.65 | Joback Calculated Property |
| Cp,gas | 552.08 | J/mol×K | 729.40 | Joback Calculated Property |
| Cp,gas | 564.56 | J/mol×K | 761.16 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,5-dimethyl-1-vinylhept-4-enyl acetate.
Sources
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