- InChI
- InChI=1S/C17H26O3/c1-9-11-12-13(14(19)15(9)20-10(2)18)17(11,5)8-6-7-16(12,3)4/h11-15,19H,1,6-8H2,2-5H3/t11?,12?,13?,14-,15-,17+/m0/s1
- InChI Key
- SSRSFLZAFQCYHK-ADSVNHKOSA-N
- Formula
- C17H26O3
- SMILES
-
C=C1C(OC(C)=O)C(O)C2C3C1C2(C)C
CCC3(C)C - Molecular Weight1
- 278.39
- 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° | -109.17 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -551.80 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.97 | kJ/mol | Joback Calculated Property |
| log10WS | -3.62 | Crippen Calculated Property | |
| logPoct/wat | 2.927 | Crippen Calculated Property | |
| McVol | 226.820 | ml/mol | McGowan Calculated Property |
| Pc | 1898.60 | kPa | Joback Calculated Property |
| Inp | [1860.00; 1860.00] |
|
|
| Inp | 1860.00 | NIST | |
| Inp | 1860.00 | NIST | |
| Tboil | 766.55 | K | Joback Calculated Property |
| Tc | 973.83 | K | Joback Calculated Property |
| Tfus | 505.63 | K | Joback Calculated Property |
| Vc | 0.862 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [743.67; 859.20] | J/mol×K | [766.55; 973.83] |
|
| Cp,gas | 743.67 | J/mol×K | 766.55 | Joback Calculated Property |
| Cp,gas | 763.00 | J/mol×K | 801.10 | Joback Calculated Property |
| Cp,gas | 782.03 | J/mol×K | 835.64 | Joback Calculated Property |
| Cp,gas | 800.96 | J/mol×K | 870.19 | Joback Calculated Property |
| Cp,gas | 820.00 | J/mol×K | 904.73 | Joback Calculated Property |
| Cp,gas | 839.34 | J/mol×K | 939.28 | Joback Calculated Property |
| Cp,gas | 859.20 | J/mol×K | 973.83 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5-Hydroxymarsupellyl acetate.
Sources
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