- InChI
- InChI=1S/C4H10O2/c1-4(5-2)6-3/h4H,1-3H3
- InChI Key
- SPEUIVXLLWOEMJ-UHFFFAOYSA-N
- Formula
- C4H10O2
- SMILES
- COC(C)OC
- Molecular Weight1
- 90.12
- CAS
- 534-15-6
- Other Names
-
- 1,1-dimethoxyethane
- 3-methyl-2,4-dioxapentane
- Acetaldehyde methyl acetal
- Acetaldehyde, dimethyl acetal
- CH3CH(OCH3)2
- Dimethyl acetal
- Dimethyl aldehyde
- Ethylidene dimethyl ether
- UN 2377
- dimethylacetal
- ω : Acentric Factor.
- ΔcH°gas : Standard gas enthalpy of combustion (kJ/mol).
- 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).
- ΔfH°liquid : Liquid phase 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).
- Pvap : Vapor pressure (kPa).
- Inp : Non-polar retention indices.
- γ : Surface Tension (N/m).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.3044 | Relay (1.0) Calculated Property | |
| ΔcH°gas | -2613.50 ± 0.79 | kJ/mol | NIST |
| ΔfG° | -229.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -389.70 ± 0.84 | kJ/mol | NIST |
| ΔfH°liquid | -419.99 ± 0.84 | kJ/mol | NIST |
| ΔfusH° | 4.97 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 36.40 ± 0.10 | kJ/mol | NIST |
| IE | 10.00 ± 10.00 | eV | NIST |
| log10WS | 0.05 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.625 | Crippen Calculated Property | |
| McVol | 78.960 | ml/mol | McGowan Calculated Property |
| Pc | 3773.04 | kPa | Joback Calculated Property |
| Inp | [547.00; 588.00] |
|
|
| Inp | 547.00 | NIST | |
| Inp | 551.00 | NIST | |
| Inp | 554.00 | NIST | |
| Inp | 563.00 | NIST | |
| Inp | 588.00 | NIST | |
| Inp | 547.00 | NIST | |
| Inp | 588.00 | NIST | |
| Tboil | [334.45; 337.70] | K |
|
| Tboil | 337.45 | K | KDB |
| Tboil | 337.70 | K | NIST |
| Tboil | 334.45 ± 0.50 | K | NIST |
| Tboil | 336.00 ± 2.00 | K | NIST |
| Tc | 511.60 | K | DIPPR Project 851 - Thirty Years of Vapor-Liquid Critical Point Measurements and Experimental Technique Development |
| Tfus | 160.05 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
Cheméo can also estimate Critical Volume 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 | 33.40 | kJ/mol | 303.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [120.83; 263.23] | 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 | 4.85700e+01 | |||
| Coefficient B | 2.63360e-01 | |||
| Coefficient C | 2.50000e-05 | |||
| Coefficient D | -7.37000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 120.83 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 141.61 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 161.69 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 180.84 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 198.83 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 215.43 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 230.41 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 243.52 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 254.54 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 263.23 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0045712; 0.0001606] | Pa×s | [160.05; 358.12] |
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 | -1.14428e+01 | |||
| Coefficient B | 9.69080e+02 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 160.05 | |||
| Temperature range, max. | 358.12 | |||
| η | 0.0045712 | Pa×s | 160.05 | Calculated Property |
| η | 0.0021987 | Pa×s | 182.06 | Calculated Property |
| η | 0.0012384 | Pa×s | 204.07 | Calculated Property |
| η | 0.0007800 | Pa×s | 226.07 | Calculated Property |
| η | 0.0005332 | Pa×s | 248.08 | Calculated Property |
| η | 0.0003879 | Pa×s | 270.09 | Calculated Property |
| η | 0.0002960 | Pa×s | 292.10 | Calculated Property |
| η | 0.0002346 | Pa×s | 314.10 | Calculated Property |
| η | 0.0001917 | Pa×s | 336.11 | Calculated Property |
| η | 0.0001606 | Pa×s | 358.12 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [6.65; 87.49] | kPa | [273.15; 333.15] |
KDB Vapor Pressure Data
|
| Equation | ln(Y) = A + B/T + C·ln(T) + D·T² + E/T² Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.23825e+02 | |||
| Coefficient B | -7.97246e+03 | |||
| Coefficient C | -1.67692e+01 | |||
| Coefficient D | 1.78584e-05 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.15 | |||
| Temperature range, max. | 333.15 | |||
| Pvap | 6.65 | kPa | 273.15 | Calculated Property |
| Pvap | 9.51 | kPa | 279.82 | Calculated Property |
| Pvap | 13.30 | kPa | 286.48 | Calculated Property |
| Pvap | 18.24 | kPa | 293.15 | Calculated Property |
| Pvap | 24.58 | kPa | 299.82 | Calculated Property |
| Pvap | 32.58 | kPa | 306.48 | Calculated Property |
| Pvap | 42.54 | kPa | 313.15 | Calculated Property |
| Pvap | 54.78 | kPa | 319.82 | Calculated Property |
| Pvap | 69.64 | kPa | 326.48 | Calculated Property |
| Pvap | 87.49 | kPa | 333.15 | Calculated Property |
| Pvap | [6.62; 87.12] | kPa | [273.00; 333.00] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.36287e+01 | |||
| Coefficient B | -2.50375e+03 | |||
| Coefficient C | -5.97070e+01 | |||
| Reference | Nicolini and Laffitte, 1949, 2 | |||
| Comment | Coefficents calculated by NIST from author's data. | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 333.00 | |||
| Pvap | 6.62 | kPa | 273.00 | Calculated Property |
| Pvap | 9.45 | kPa | 279.67 | Calculated Property |
| Pvap | 13.21 | kPa | 286.33 | Calculated Property |
| Pvap | 18.11 | kPa | 293.00 | Calculated Property |
| Pvap | 24.40 | kPa | 299.67 | Calculated Property |
| Pvap | 32.35 | kPa | 306.33 | Calculated Property |
| Pvap | 42.26 | kPa | 313.00 | Calculated Property |
| Pvap | 54.46 | kPa | 319.67 | Calculated Property |
| Pvap | 69.29 | kPa | 326.33 | Calculated Property |
| Pvap | 87.12 | kPa | 333.00 | Calculated Property |
| Pvap | [6.62; 87.12] | kPa | [273.00; 333.00] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.36287e+01 | |||
| Coefficient B | -2.50375e+03 | |||
| Coefficient C | -5.97070e+01 | |||
| Reference | Nicolini and Laffitte, 1949 | |||
| Comment | Coefficents calculated by NIST from author's data. | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 333.00 | |||
| Pvap | 6.62 | kPa | 273.00 | Calculated Property |
| Pvap | 9.45 | kPa | 279.67 | Calculated Property |
| Pvap | 13.21 | kPa | 286.33 | Calculated Property |
| Pvap | 18.11 | kPa | 293.00 | Calculated Property |
| Pvap | 24.40 | kPa | 299.67 | Calculated Property |
| Pvap | 32.35 | kPa | 306.33 | Calculated Property |
| Pvap | 42.26 | kPa | 313.00 | Calculated Property |
| Pvap | 54.46 | kPa | 319.67 | Calculated Property |
| Pvap | 69.29 | kPa | 326.33 | Calculated Property |
| Pvap | 87.12 | kPa | 333.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| γ | [0.04; 0.02] | N/m | [160.15; 337.65] |
Jasper (1972), surface tension of pure liquid compounds Compiled value
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is γ in N/m, T in K | |||
| Coefficient A | 5.55581e-02 | |||
| Coefficient B | -1.15900e-04 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 160.15 | |||
| Temperature range, max. | 337.65 | |||
| γ | 0.04 | N/m | 160.15 | Calculated Property |
| γ | 0.03 | N/m | 179.87 | Calculated Property |
| γ | 0.03 | N/m | 199.59 | Calculated Property |
| γ | 0.03 | N/m | 219.32 | Calculated Property |
| γ | 0.03 | N/m | 239.04 | Calculated Property |
| γ | 0.03 | N/m | 258.76 | Calculated Property |
| γ | 0.02 | N/m | 278.48 | Calculated Property |
| γ | 0.02 | N/m | 298.21 | Calculated Property |
| γ | 0.02 | N/m | 317.93 | Calculated Property |
| γ | 0.02 | N/m | 337.65 | Calculated Property |
Similar Compounds
Find more compounds similar to Ethane, 1,1-dimethoxy-.
Sources
- KDB Vapor Pressure Data
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Jasper (1972), surface tension of pure liquid compounds ChEDL chemicals 1.5.2, from Jasper, J. J. The Surface Tension of Pure Liquid Compounds. J. Phys. Chem. Ref. Data 1972, 1, 841-1010 (as transcribed in Lange's Handbook).
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- DIPPR Project 851 - Thirty Years of Vapor-Liquid Critical Point Measurements and Experimental Technique Development
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
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