- InChI
- InChI=1S/C19H32O5/c20-9-17(23)19(24)6-5-13-14-3-1-10-7-11(21)2-4-12(10)18(14)16(22)8-15(13)19/h10-18,20-24H,1-9H2/t10-,11-,12?,13?,14?,15?,16+,17-,18?,19-/m0/s1
- InChI Key
- KEDYQHPGKLKUDH-QYNBOFHISA-N
- Formula
- C19H32O5
- SMILES
-
OCC(O)C1(O)CCC2C3CCC4CC(O)CCC4
C3C(O)CC21 - Molecular Weight1
- 340.45
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 1.0179 | Relay (... Calculated Property | |
| ΔfG° | -438.98 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -949.79 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 42.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 181.75 | kJ/mol | Relay (... Calculated Property |
| IE | 9.01 | eV | Relay (... Calculated Property |
| log10WS | -3.16 | Relay (... Calculated Property | |
| logPoct/wat | 0.665 | Crippen Calculated Property | |
| McVol | 264.480 | ml/mol | McGowan Calculated Property |
| Pc | 2381.86 | kPa | Joback Calculated Property |
| Inp | [3088.00; 3088.00] |
|
|
| Inp | 3088.00 | NIST | |
| Inp | 3088.00 | NIST | |
| Tboil | 716.99 | K | Relay (... Calculated Property |
| Tc | 1054.78 | K | Relay (... Calculated Property |
| Tfus | 462.89 | K | Relay (... Calculated Property |
| Vc | 0.972 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1129.83; 1311.85] | J/mol×K | [1119.78; 1389.72] |
|
| Cp,gas | 1129.83 | J/mol×K | 1119.78 | Joback Calculated Property |
| Cp,gas | 1156.27 | J/mol×K | 1164.77 | Joback Calculated Property |
| Cp,gas | 1183.78 | J/mol×K | 1209.76 | Joback Calculated Property |
| Cp,gas | 1212.73 | J/mol×K | 1254.75 | Joback Calculated Property |
| Cp,gas | 1243.48 | J/mol×K | 1299.74 | Joback Calculated Property |
| Cp,gas | 1276.40 | J/mol×K | 1344.73 | Joback Calculated Property |
| Cp,gas | 1311.85 | J/mol×K | 1389.72 | Joback Calculated Property |
Similar Compounds
Sources
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