Chemical Properties of 1,1-Ethanediol, diacetate (CAS 542-10-9)

1,1-Ethanediol, diacetate

InChI
InChI=1S/C6H10O4/c1-4(7)9-6(3)10-5(2)8/h6H,1-3H3
InChI Key
ACKALUBLCWJVNB-UHFFFAOYSA-N
Formula
C6H10O4
SMILES
CC(=O)OC(C)OC(C)=O
Molecular Weight1
146.14
CAS
542-10-9
Other Names
  • 1,1'-Diacetoxy-ethane
  • 1,1-Diacetoxyethane
  • 1,1-ETHANEDIOL
  • DIACETATE
  • Ethylidene acetate
  • Ethylidene diacetate
  • ethylidene diethanoate
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
ω 0.4746 Relay (1.0) Calculated Property
ΔcH°liquid -2918.70 ± 1.00 kJ/mol NIST
ΔfH°gas -812.60 ± 1.10 kJ/mol NIST
ΔfH°liquid -871.50 ± 1.00 kJ/mol NIST
ΔfusH° 16.51 kJ/mol Joback Calculated Property
ΔvapH° [58.90; 59.00] kJ/mol Show Hide
ΔvapH° 59.00 ± 1.00 kJ/mol NIST
ΔvapH° 58.90 kJ/mol NIST
IE 10.04 eV Relay (1.0) Calculated Property
log10WS -0.73 Relay (1.0) Calculated Property
logPoct/wat 0.459 Crippen Calculated Property
McVol 110.280 ml/mol McGowan Calculated Property
Pc 2970.00 kPa Critical Point and Vapor Pressure Measurements for 17 Compounds by a Low Residence Time Flow Method
Inp [786.00; 789.00]   Show Hide
Inp 789.00 NIST
Inp 786.00 NIST
Inp 789.00 NIST
Tboil 405.95 K Relay (1.0) Calculated Property
Tc 588.29 K Relay (1.0) Calculated Property
Tfus 292.05 K Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Vc 0.435 m3/kmol Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
ΔvapH 49.70 kJ/mol 390.50 NIST

Pressure Dependent Properties

Property Value Unit Pressure (kPa) Source
Tboilr 339.20 K 1.30 NIST

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [165.12; 345.63] 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 A4.65700e+01
Coefficient B4.70160e-01
Coefficient C-1.16600e-04
Coefficient D-5.45000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 165.12 J/mol×K 273.00 Calculated Property
Cp,gas 195.90 J/mol×K 353.78 Calculated Property
Cp,gas 224.39 J/mol×K 434.56 Calculated Property
Cp,gas 250.44 J/mol×K 515.33 Calculated Property
Cp,gas 273.86 J/mol×K 596.11 Calculated Property
Cp,gas 294.49 J/mol×K 676.89 Calculated Property
Cp,gas 312.15 J/mol×K 757.67 Calculated Property
Cp,gas 326.68 J/mol×K 838.44 Calculated Property
Cp,gas 337.90 J/mol×K 919.22 Calculated Property
Cp,gas 345.63 J/mol×K 1000.00 Calculated Property
Property Value Unit Temperature (K) Source
η [0.0017934; 0.0002409] Pa×s [292.05; 446.83] 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-1.21194e+01
Coefficient B1.69266e+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.292.05
Temperature range, max.446.83
η 0.0017934 Pa×s 292.05 Calculated Property
η 0.0012993 Pa×s 309.25 Calculated Property
η 0.0009738 Pa×s 326.44 Calculated Property
η 0.0007513 Pa×s 343.64 Calculated Property
η 0.0005941 Pa×s 360.84 Calculated Property
η 0.0004799 Pa×s 378.04 Calculated Property
η 0.0003950 Pa×s 395.23 Calculated Property
η 0.0003304 Pa×s 412.43 Calculated Property
η 0.0002803 Pa×s 429.63 Calculated Property
η 0.0002409 Pa×s 446.83 Calculated Property
Property Value Unit Temperature (K) Source
Pvap [1.33; 202.63] kPa [337.55; 468.47] The Yaws Handbook of Vapor Pressure Show Hide
Equationln(Y) = A + B/(T + C)
Y is Pvap in kPa, T in K
Coefficient A1.40900e+01
Coefficient B-3.15761e+03
Coefficient C-1.08775e+02
Temperature range, min.337.55
Temperature range, max.468.47
Pvap 1.33 kPa 337.55 Calculated Property
Pvap 3.04 kPa 352.10 Calculated Property
Pvap 6.33 kPa 366.64 Calculated Property
Pvap 12.17 kPa 381.19 Calculated Property
Pvap 21.90 kPa 395.74 Calculated Property
Pvap 37.24 kPa 410.28 Calculated Property
Pvap 60.30 kPa 424.83 Calculated Property
Pvap 93.59 kPa 439.38 Calculated Property
Pvap 139.97 kPa 453.92 Calculated Property
Pvap 202.63 kPa 468.47 Calculated Property
Pvap [0.04; 3249.39] kPa [292.00; 635.00] KDB Vapor Pressure Data Show Hide
Equationln(Y) = A + B/T + C·ln(T) + D·T² + E/T²
Y is Pvap in kPa, T in K
Coefficient A3.44052e+02
Coefficient B-2.10841e+04
Coefficient C-4.89250e+01
Coefficient D3.21924e-05
Coefficient E0.00000e+00
Temperature range, min.292.00
Temperature range, max.635.00
Pvap 0.04 kPa 292.00 Calculated Property
Pvap 0.95 kPa 330.11 Calculated Property
Pvap 7.97 kPa 368.22 Calculated Property
Pvap 35.80 kPa 406.33 Calculated Property
Pvap 108.31 kPa 444.44 Calculated Property
Pvap 255.65 kPa 482.56 Calculated Property
Pvap 520.00 kPa 520.67 Calculated Property
Pvap 976.45 kPa 558.78 Calculated Property
Pvap 1777.53 kPa 596.89 Calculated Property
Pvap 3249.39 kPa 635.00 Calculated Property

Similar Compounds

2-Propene-1,1-diol, diacetate. 1,1-Ethanediol, diisobutyrate. Methylene diacetate. Ethane, 1,1-diethoxy-. cis-2,4,6-Trimethyl-1,3,5-trioxane. Paraldehyde. Acetaldehyde, tetramer. Ethane, 1-ethoxy-1-methoxy-. 2-Ethoxyethyl acetate. 2-[2-(2-Ethoxyethoxy)ethoxy]ethyl acetate. Ethanol, 2-(2-ethoxyethoxy)-, acetate. Ethyl Acetate. Ethanol, 2,2'-oxybis-, diacetate. 2-[2-[2-[2-(2-Acetyloxyethoxy)ethoxy]ethoxy]ethoxy]ethyl acetate. 2-[2-[2-[2-[2-[2-[2-(2-Acetyloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl acetate.

Find more compounds similar to 1,1-Ethanediol, diacetate.

Sources

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
These property values are available through the Cheméo API. A free account gives you an access key.