- InChI
- InChI=1S/C18H32O16/c19-1-5-8(22)11(25)13(27)16(31-5)30-3-7-9(23)12(26)14(28)17(32-7)34-18(4-21)15(29)10(24)6(2-20)33-18/h5-17,19-29H,1-4H2
- InChI Key
- MUPFEKGTMRGPLJ-UHFFFAOYSA-N
- Formula
- C18H32O16
- SMILES
-
OCC1OC(OCC2OC(OC3(CO)OC(CO)C(O
)C3O)C(O)C(O)C2O)C(O)C(O)C1O - Molecular Weight1
- 504.44
- CAS
- 6227-50-5
- Other Names
-
- raffinose
- ω : Acentric Factor.
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- 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).
- 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 | 1.5521 | Relay (1.0) Calculated Property | |
| ΔcH°solid | -8483.10 | kJ/mol | NIST |
| ΔfG° | -1877.55 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2556.97 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 96.75 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 246.77 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.23 | eV | Relay (1.0) Calculated Property |
| log10WS | [-0.41; -0.41] |
|
|
| log10WS | -0.41 | Aq. Solubility Prediction | |
| log10WS | -0.41 | Estimated Solubility | |
| logPoct/wat | -7.571 | Crippen Calculated Property | |
| McVol | 325.820 | ml/mol | McGowan Calculated Property |
| Pc | 3368.44 | kPa | Joback Calculated Property |
| Tboil | 876.17 | K | Relay (1.0) Calculated Property |
| Tc | 1356.80 | K | Relay (1.0) Calculated Property |
| Tfus | 458.96 | K | Relay (1.0) Calculated Property |
| Vc | 1.292 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1440.80; 4424.11] | J/mol×K | [1754.16; 4228.42] |
|
| Cp,gas | 1440.80 | J/mol×K | 1754.16 | Joback Calculated Property |
| Cp,gas | 1455.79 | J/mol×K | 2166.54 | Joback Calculated Property |
| Cp,gas | 1539.35 | J/mol×K | 2578.91 | Joback Calculated Property |
| Cp,gas | 1784.73 | J/mol×K | 2991.29 | Joback Calculated Property |
| Cp,gas | 2285.15 | J/mol×K | 3403.66 | Joback Calculated Property |
| Cp,gas | 3133.87 | J/mol×K | 3816.04 | Joback Calculated Property |
| Cp,gas | 4424.11 | J/mol×K | 4228.42 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to D-Raffinose.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Joback Method
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
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