Chemical Properties of Butanedioic acid, 2,3-dihydroxy-, diethyl ester, [S-(R*,R*)]- (CAS 13811-71-7)

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
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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 290.15 K Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
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 Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A5.36520e+01
Coefficient B7.34040e-01
Coefficient C-2.89400e-04
Coefficient D-1.16000e-08
Coefficient E0.00000e+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 [0.4005403; 0.0000293] Pa×s [290.15; 599.19] Joback Predicted correlation Show Hide
EquationY = 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 B5.35798e+03
Coefficient C0.00000e+00
Coefficient D0.00000e+00
Coefficient E0.00000e+00
CommentLiquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.290.15
Temperature range, max.599.19
η 0.4005403 Pa×s 290.15 Calculated Property
η 0.0567532 Pa×s 324.49 Calculated Property
η 0.0116884 Pa×s 358.82 Calculated Property
η 0.0031724 Pa×s 393.16 Calculated Property
η 0.0010617 Pa×s 427.50 Calculated Property
η 0.0004181 Pa×s 461.84 Calculated Property
η 0.0001873 Pa×s 496.17 Calculated Property
η 0.0000931 Pa×s 530.51 Calculated Property
η 0.0000504 Pa×s 564.85 Calculated Property
η 0.0000293 Pa×s 599.19 Calculated Property

Similar Compounds

(+)-Diethyl L-tartrate. Racem-dimethoxysuccinic acid, dimethylester. Butanedioic acid, 2,3-dihydroxy-, bis(1-methylethyl) ester, [S-(R*,R*)]-. Di-isopropyl tartrate. Dibutyl tartrate. Butanedioic acid, 2,3-dihydroxy-, dibutyl ester. dimethyl [S(R*,R*)]-tartrate. Butanedioic acid, 2,3-dihydroxy- [R-(R*,R*)]-, dimethyl ester. Meso-tartaric acid, dimethylester. DL-Dimethyl tartarate. Butanedioic acid, hydroxy-, diethyl ester, (.+/-.)-. Di-iso-amyl tartrate. ENT-337. Butanedioic acid, hydroxy-, dimethyl ester. Butanoic acid, 2-hydroxy-, ethyl ester.

Find more compounds similar to Butanedioic acid, 2,3-dihydroxy-, diethyl ester, [S-(R*,R*)]-.

Sources

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