Chemical Properties of (S)-(-)-1,2,4-Butanetriol, 2-acetate

(S)-(-)-1,2,4-Butanetriol, 2-acetate

InChI
InChI=1S/C6H12O4/c1-5(9)10-6(4-8)2-3-7/h6-8H,2-4H2,1H3
InChI Key
SDDGXTZPTOYNOA-UHFFFAOYSA-N
Formula
C6H12O4
SMILES
CC(=O)OC(CO)CCO
Molecular Weight1
148.16
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Physical Properties

Property Value Unit Source
ΔfH°gas -802.29 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 20.32 kJ/mol Joback Calculated Property
ΔvapH° 90.32 kJ/mol Relay (1.0) Calculated Property
IE 9.95 eV Relay (1.0) Calculated Property
log10WS 0.43 Relay (1.0) Calculated Property
logPoct/wat -0.707 Crippen Calculated Property
McVol 114.580 ml/mol McGowan Calculated Property
Pc 3920.94 kPa Joback Calculated Property
Inp 1247.00 NIST
Tboil 511.04 K Relay (1.0) Calculated Property
Tc 734.11 K Relay (1.0) Calculated Property
Tfus 283.03 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [173.79; 374.86] 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 A3.17430e+01
Coefficient B5.92920e-01
Coefficient C-2.72000e-04
Coefficient D2.22000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 173.79 J/mol×K 273.00 Calculated Property
Cp,gas 208.44 J/mol×K 353.78 Calculated Property
Cp,gas 239.86 J/mol×K 434.56 Calculated Property
Cp,gas 268.10 J/mol×K 515.33 Calculated Property
Cp,gas 293.24 J/mol×K 596.11 Calculated Property
Cp,gas 315.34 J/mol×K 676.89 Calculated Property
Cp,gas 334.49 J/mol×K 757.67 Calculated Property
Cp,gas 350.75 J/mol×K 838.44 Calculated Property
Cp,gas 364.18 J/mol×K 919.22 Calculated Property
Cp,gas 374.86 J/mol×K 1000.00 Calculated Property
Property Value Unit Temperature (K) Source
η [0.0532210; 0.0000897] Pa×s [306.35; 521.50] 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-1.84127e+01
Coefficient B4.74212e+03
Coefficient C0.00000e+00
Coefficient D0.00000e+00
Coefficient E0.00000e+00
Temperature range, min.306.35
Temperature range, max.521.50
η 0.0532210 Pa×s 306.35 Calculated Property
η 0.0173565 Pa×s 330.26 Calculated Property
η 0.0065847 Pa×s 354.16 Calculated Property
η 0.0028238 Pa×s 378.07 Calculated Property
η 0.0013393 Pa×s 401.97 Calculated Property
η 0.0006907 Pa×s 425.88 Calculated Property
η 0.0003822 Pa×s 449.78 Calculated Property
η 0.0002245 Pa×s 473.69 Calculated Property
η 0.0001388 Pa×s 497.60 Calculated Property
η 0.0000897 Pa×s 521.50 Calculated Property

Similar Compounds

(S)-(-)-1,2,4-Butanetriol, 2,4-di(acetate). (S)-(-)-1,2,4-Butanetriol, 2,4-di(trifluoroacetate). 1,2,4-Butanetriol, triacetate. (S)-(-)-1,2,4-Butanetriol, 2,4-di(pentafluoropropionate). (S)-(-)-1,2,4-Butanetriol, 2,4-di(heptafluorobutyrate). (S)-(-)-1,2,4-Butanetriol, 4-acetate. (S)-(+)-2',3'-Dideoxyribonolactone. 2-Ethoxybutanol. 4-(2-Hydroxyethyl)-2,2-dimethyl-1,3-dioxolane. erythritol, acetylated. threitol, acetylated. cis-Oxolane-3,4-diol dinitrate. 2-deoxyribitol, acetylated. 5-METHYLTETRAHYDROFURAN-2-METHANOL. (S)-(-)-1,2,4-Butanetriol, 4-trifluoroacetate.

Find more compounds similar to (S)-(-)-1,2,4-Butanetriol, 2-acetate.

Sources

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