![Butanedioic acid, 2,3-dihydroxy-, diethyl ester, [S-(R*,R*)]-](/cid/20-692-1/Butanedioic-acid-2-3-dihydroxy-diethyl-ester-S-R-R.png "Butanedioic acid, 2,3-dihydroxy-, diethyl ester, [S-(R*,R*)]-")
- InChI
- InChI=1S/C8H14O6/c1-3-13-7(11)5(9)6(10)8(12)14-4-2/h5-6,9-10H,3-4H2,1-2H3/t5-,6-/m1/s1
- InChI Key
- YSAVZVORKRDODB-PHDIDXHHSA-N
- Formula
- C8H14O6
- SMILES
- CCOC(=O)C(O)C(O)C(=O)OCC
- Molecular Weight1
- 206.19
- CAS
- 13811-71-7
- Other Names
-
- diethyl [S-(R*,R*)]-tartrate
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- 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).
- 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 | 0.8377 | Relay (1.0) Calculated Property | |
| ΔfG° | -882.78 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1174.16 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 26.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.28 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.23 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.44 | Relay (1.0) Calculated Property | |
| logPoct/wat | -1.166 | Crippen Calculated Property | |
| McVol | 150.200 | ml/mol | McGowan Calculated Property |
| Pc | 3170.40 | kPa | Joback Calculated Property |
| Tboil | 530.71 | K | Relay (1.0) Calculated Property |
| Tc | 735.21 | K | Relay (1.0) Calculated Property |
| Tfus | 321.48 | K | Relay (1.0) Calculated Property |
| Vc | 0.574 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 65.90 | kJ/mol | 464.00 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 435.20 | K | 2.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [232.24; 486.69] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 5.36520e+01 | |||
| Coefficient B | 7.34040e-01 | |||
| Coefficient C | -2.89400e-04 | |||
| Coefficient D | -1.16000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 232.24 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 276.60 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 317.03 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 353.48 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 385.93 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 414.32 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 438.63 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 458.82 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 474.85 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 486.69 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0130369; 0.0000293] | Pa×s | [356.22; 599.19] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.93812e+01 | |||
| Coefficient B | 5.35798e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 356.22 | |||
| Temperature range, max. | 599.19 | |||
| η | 0.0130369 | Pa×s | 356.22 | Calculated Property |
| η | 0.0045185 | Pa×s | 383.22 | Calculated Property |
| η | 0.0018005 | Pa×s | 410.21 | Calculated Property |
| η | 0.0008038 | Pa×s | 437.21 | Calculated Property |
| η | 0.0003941 | Pa×s | 464.20 | Calculated Property |
| η | 0.0002090 | Pa×s | 491.20 | Calculated Property |
| η | 0.0001184 | Pa×s | 518.20 | Calculated Property |
| η | 0.0000710 | Pa×s | 545.19 | Calculated Property |
| η | 0.0000446 | Pa×s | 572.19 | Calculated Property |
| η | 0.0000293 | Pa×s | 599.19 | Calculated Property |
Similar Compounds
Find more compounds similar to Butanedioic acid, 2,3-dihydroxy-, diethyl ester, [S-(R*,R*)]-.
Sources
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