- InChI
- InChI=1S/C17H26O3/c18-10-2-4-11-9(7-10)1-3-13-12-5-6-15(19)14(12)8-16(20)17(11)13/h9-14,16-18,20H,1-8H2/t9-,10-,11?,12?,13?,14?,16+,17?/m0/s1
- InChI Key
- DQGUTLNRNVUFAI-STEAYNICSA-N
- Formula
- C17H26O3
- SMILES
-
O=C1CCC2C1CC(O)C1C3CCC(O)CC3CC
C21 - 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° | -152.31 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -657.33 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 33.80 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.32 | kJ/mol | Joback Calculated Property |
| log10WS | -3.10 | Crippen Calculated Property | |
| logPoct/wat | 2.150 | Crippen Calculated Property | |
| McVol | 220.260 | ml/mol | McGowan Calculated Property |
| Pc | 2229.20 | kPa | Joback Calculated Property |
| Inp | 2731.00 | NIST | |
| Tboil | 870.17 | K | Joback Calculated Property |
| Tc | 1087.24 | K | Joback Calculated Property |
| Tfus | 508.41 | K | Joback Calculated Property |
| Vc | 0.817 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [830.48; 916.88] | J/mol×K | [870.17; 1087.24] | 
|
| Cp,gas | 830.48 | J/mol×K | 870.17 | Joback Calculated Property |
| Cp,gas | 848.01 | J/mol×K | 906.35 | Joback Calculated Property |
| Cp,gas | 864.20 | J/mol×K | 942.53 | Joback Calculated Property |
| Cp,gas | 879.12 | J/mol×K | 978.71 | Joback Calculated Property |
| Cp,gas | 892.83 | J/mol×K | 1014.89 | Joback Calculated Property |
| Cp,gas | 905.39 | J/mol×K | 1051.06 | Joback Calculated Property |
| Cp,gas | 916.88 | J/mol×K | 1087.24 | Joback Calculated Property |
Similar Compounds
Sources
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