- InChI
- InChI=1S/C6H10O3/c1-6(2)3-9-5(8)4(6)7/h4,7H,3H2,1-2H3/t4-/m1/s1
- InChI Key
- SERHXTVXHNVDKA-SCSAIBSYSA-N
- Formula
- C6H10O3
- SMILES
- CC1(C)COC(=O)C1O
- Molecular Weight1
- 130.14
- CAS
- 599-04-2
- Other Names
-
- (D)-Pantolactone
- (R)-(-)-Pantolactone
- (R)-3-hydroxy-4,4-dimethyldihydrofuran-2(3H)-one
- (R)-pantolactone
- 2(3H)-Furanone, dihydro-3-hydroxy-4,4-dimethyl-, (3R)-
- 2(3H)-Furanone, dihydro-3-hydroxy-4,4-dimethyl-, (R)-
- 2(3H)-Furanone, dihydro-3-hydroxy-4,4-dimethyl-, D-(-)-
- 2-hydroxy-3,3-dimethyl-«gamma»-butyrolactone
- D(-)-2-Hydroxy-3,3-dimethyl-«gamma»-butyrolactone
- D-(-)-Pantoic acid lactone
- D-(-)-Pantolactone
- D-(-)-Pantolyl lactone
- D-(-)-Pantoyl lactone
- D-(-)-«alpha»Hydroxy-«beta»,«beta»-dimethyl-«gamma»-butyrolactone
- D-pantolactone
- Dihydro-3-hydroxy-4,4-dimethyl-2(3H)-furanone, R-(-)-pantolactone
- Dihydro-3-hydroxy-4,4-dimethyl-2(3H)-furanone, pantolactone
- Pantolyl lactone
- Pantothenic lactone
- Pantoyl lactone
- «alpha»-hydroxy-«beta»,«beta»-dimethyl-«gamma»-butyrolactone
- 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).
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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 | 0.5215 | Relay (... Calculated Property | |
| ΔfG° | -322.54 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -594.75 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 11.58 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.67 | kJ/mol | Relay (... Calculated Property |
| IE | 10.30 | eV | Relay (... Calculated Property |
| log10WS | -0.07 | Relay (... Calculated Property | |
| logPoct/wat | -0.070 | Crippen Calculated Property | |
| McVol | 97.850 | ml/mol | McGowan Calculated Property |
| Pc | 4540.80 | kPa | Joback Calculated Property |
| I | [1998.00; 2077.00] |
|
|
| I | 2028.00 | NIST | |
| I | 2029.00 | NIST | |
| I | 2077.00 | NIST | |
| I | 1998.00 | NIST | |
| I | 1998.00 | NIST | |
| I | 2033.00 | NIST | |
| I | 2051.00 | NIST | |
| I | 2034.00 | NIST | |
| I | 2033.00 | NIST | |
| I | 2077.00 | NIST | |
| I | 2008.00 | NIST | |
| I | 2006.00 | NIST | |
| I | 2028.00 | NIST | |
| I | 2051.00 | NIST | |
| I | 2006.00 | NIST | |
| Tboil | 473.03 | K | Relay (... Calculated Property |
| Tc | 724.67 | K | Relay (... Calculated Property |
| Tfus | 429.33 | K | Relay (... Calculated Property |
| Vc | 0.360 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [242.67; 302.32] | J/mol×K | [534.48; 745.23] |
|
| Cp,gas | 242.67 | J/mol×K | 534.48 | Joback Calculated Property |
| Cp,gas | 253.86 | J/mol×K | 569.60 | Joback Calculated Property |
| Cp,gas | 264.47 | J/mol×K | 604.73 | Joback Calculated Property |
| Cp,gas | 274.55 | J/mol×K | 639.85 | Joback Calculated Property |
| Cp,gas | 284.18 | J/mol×K | 674.98 | Joback Calculated Property |
| Cp,gas | 293.41 | J/mol×K | 710.10 | Joback Calculated Property |
| Cp,gas | 302.32 | J/mol×K | 745.23 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 394.20 | K | 2.00 | NIST |
Similar Compounds
Find more compounds similar to Pantolactone.
Mixtures
- Pantolactone + Water
- Pantolactone + Methyl Alcohol
- Ethanol + Pantolactone
- Pantolactone + Ethyl Acetate
- Ethanol + Pantolactone + Water
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Experimental and Modeling Studies on the Solubility of d-Pantolactone in Four Pure Solvents and Ethanol Water Mixtures
- Joback Method
- McGowan Method
- NIST Webbook
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