- InChI
- InChI=1S/C14H18O4/c1-7-8(2)12-10(9(3)11(7)15)5-6-14(4,18-12)13(16)17/h15H,5-6H2,1-4H3,(H,16,17)
- InChI Key
- GLEVLJDDWXEYCO-UHFFFAOYSA-N
- Formula
- C14H18O4
- SMILES
-
Cc1c(C)c2c(c(C)c1O)CCC(C)(C(=O
)O)O2 - Molecular Weight1
- 250.29
- Other Names
-
- (R,S)-6-hydroxy-2,5,7,8-tetramethyl-2-chromanecarboxylic acid
- 3,4-dihydro-6-hydroxy-2,5,7,8-tetramethyl-2H-1-benzopyran-2-carboxylic acid
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,solid : Solid phase 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- 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° | -322.43 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -633.88 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 38.67 | kJ/mol | Thermoc... |
| ΔvapH° | 91.56 | kJ/mol | Joback Calculated Property |
| log10WS | -3.31 | Crippen Calculated Property | |
| logPoct/wat | 2.486 | Crippen Calculated Property | |
| McVol | 192.680 | ml/mol | McGowan Calculated Property |
| Pc | 3100.18 | kPa | Joback Calculated Property |
| Tboil | 831.19 | K | Joback Calculated Property |
| Tc | 1055.03 | K | Joback Calculated Property |
| Tfus | 463.00 | K | Thermoc... |
| Vc | 0.670 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [585.41; 672.64] | J/mol×K | [831.19; 1055.03] | 
|
|
T(K) Ideal gas heat capacity (J/mol×K) 580 600 620 640 660 680 900 1000 | ||||
| Cp,gas | 585.41 | J/mol×K | 831.19 | Joback Calculated Property |
| Cp,gas | 599.12 | J/mol×K | 868.50 | Joback Calculated Property |
| Cp,gas | 612.92 | J/mol×K | 905.80 | Joback Calculated Property |
| Cp,gas | 627.00 | J/mol×K | 943.11 | Joback Calculated Property |
| Cp,gas | 641.52 | J/mol×K | 980.41 | Joback Calculated Property |
| Cp,gas | 656.68 | J/mol×K | 1017.72 | Joback Calculated Property |
| Cp,gas | 672.64 | J/mol×K | 1055.03 | Joback Calculated Property |
| Cp,solid | [332.00; 458.30] | J/mol×K | [298.15; 408.15] |
|
|
T(K) Solid phase heat capacity (J/mol×K) 320 340 360 380 400 420 440 460 300 350 400 | ||||
| Cp,solid | 332.00 | J/mol×K | 298.15 | Thermoc... |
| Cp,solid | 335.10 | J/mol×K | 303.15 | Thermoc... |
| Cp,solid | 338.40 | J/mol×K | 308.15 | Thermoc... |
| Cp,solid | 342.00 | J/mol×K | 313.15 | Thermoc... |
| Cp,solid | 349.80 | J/mol×K | 318.15 | Thermoc... |
| Cp,solid | 353.50 | J/mol×K | 323.15 | Thermoc... |
| Cp,solid | 363.00 | J/mol×K | 328.15 | Thermoc... |
| Cp,solid | 368.90 | J/mol×K | 338.15 | Thermoc... |
| Cp,solid | 372.10 | J/mol×K | 343.15 | Thermoc... |
| Cp,solid | 375.10 | J/mol×K | 348.15 | Thermoc... |
| Cp,solid | 382.60 | J/mol×K | 353.15 | Thermoc... |
| Cp,solid | 387.90 | J/mol×K | 358.15 | Thermoc... |
| Cp,solid | 403.00 | J/mol×K | 368.15 | Thermoc... |
| Cp,solid | 408.40 | J/mol×K | 373.15 | Thermoc... |
| Cp,solid | 418.40 | J/mol×K | 378.15 | Thermoc... |
| Cp,solid | 427.70 | J/mol×K | 388.15 | Thermoc... |
| Cp,solid | 437.40 | J/mol×K | 393.15 | Thermoc... |
| Cp,solid | 448.30 | J/mol×K | 398.15 | Thermoc... |
| Cp,solid | 453.30 | J/mol×K | 403.15 | Thermoc... |
| Cp,solid | 458.30 | J/mol×K | 408.15 | Thermoc... |
| ΔvapH | 133.80 | kJ/mol | 398.41 | Thermoc... |
Similar Compounds
Find more compounds similar to 6-hydroxy-2,5,7,8-tetramethylchroman-2-carboxylic acid.
Sources
- Crippen Method
- Crippen Method
- Thermochemistry of 2,2,5,7,8-pentamethylchroman-6-ol (PMC) and 6-hydroxy-2,5,7,8-tetramethylchroman-2-carboxylic acid (trolox)
- Joback Method
- McGowan Method
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