![Ethane, 1,1'-[methylenebis(oxy)]bis-](/cid/12-144-8/Ethane-1-1-methylenebis-oxy-bis.png "Ethane, 1,1'-[methylenebis(oxy)]bis-")
- InChI
- InChI=1S/C5H12O2/c1-3-6-5-7-4-2/h3-5H2,1-2H3
- InChI Key
- KLKFAASOGCDTDT-UHFFFAOYSA-N
- Formula
- C5H12O2
- SMILES
- CCOCOCC
- Molecular Weight1
- 104.15
- CAS
- 462-95-3
- Other Names
-
- 1,1-diethoxymethane
- 3,5-dioxaheptane
- Formaldehyde diethyl acetal
- NSC 6754
- UN 2373
- diethoxymethane
- diethyl formal
- diethylformal
- ethoxymethyl ethyl ether
- ethylal
- formaldehyde, diethyl acetal
- methane, diethoxy-
- ω : Acentric Factor.
- ΔcH°liquid : Standard liquid 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.
- Tboil : Normal Boiling Point Temperature (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 | 0.3802 | Relay (1.0) Calculated Property | |
| ΔcH°liquid | [-3233.80; -3232.12] | kJ/mol |
|
| ΔcH°liquid | -3233.80 ± 0.40 | kJ/mol | NIST |
| ΔcH°liquid | -3232.12 ± 0.79 | kJ/mol | NIST |
| ΔfG° | -218.78 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | [-414.76; -413.10] | kJ/mol |
|
| ΔfH°gas | -413.10 | kJ/mol | NIST |
| ΔfH°gas | -414.76 ± 0.86 | kJ/mol | NIST |
| ΔfH°liquid | [-450.41; -448.70] | kJ/mol |
|
| ΔfH°liquid | -448.70 ± 0.40 | kJ/mol | NIST |
| ΔfH°liquid | -450.41 ± 0.84 | kJ/mol | NIST |
| ΔfusH° | 11.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [35.65; 37.00] | kJ/mol |
|
| ΔvapH° | 35.74 | kJ/mol | NIST |
| ΔvapH° | 37.00 ± 2.00 | kJ/mol | NIST |
| ΔvapH° | 35.65 ± 0.17 | kJ/mol | NIST |
| ΔvapH° | 35.70 | kJ/mol | NIST |
| ΔvapH° | 35.70 ± 0.20 | kJ/mol | NIST |
| IE | 9.70 ± 0.05 | eV | NIST |
| log10WS | -0.41 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.017 | Crippen Calculated Property | |
| McVol | 93.050 | ml/mol | McGowan Calculated Property |
| Pc | 3333.53 | kPa | Joback Calculated Property |
| Inp | [635.00; 657.74] |
|
|
| Inp | 635.00 | NIST | |
| Inp | 636.00 | NIST | |
| Inp | 647.00 | NIST | |
| Inp | 657.74 | NIST | |
| Inp | 649.00 | NIST | |
| Inp | 657.74 | NIST | |
| Tboil | [360.65; 362.20] | K |
|
| Tboil | 360.70 | K | NIST |
| Tboil | Outlier 362.20 | K | NIST |
| Tboil | 361.10 | K | NIST |
| Tboil | 361.50 ± 0.60 | K | NIST |
| Tboil | 361.10 ± 0.60 | K | NIST |
| Tboil | 361.05 ± 0.30 | K | NIST |
| Tboil | 360.65 ± 0.50 | K | NIST |
| Tc | 531.70 | K | IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 7 Compiled value |
| Tfus | [206.00; 207.20] | K |
|
| Tfus | 206.90 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | 206.00 ± 2.00 | K | NIST |
| Tfus | 206.65 ± 0.50 | K | NIST |
| Tfus | 207.20 ± 1.50 | K | NIST |
| Vc | 0.352 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | [31.33; 36.10] | kJ/mol | [317.00; 361.10] |
|
| ΔvapH | 36.10 | kJ/mol | 317.00 | NIST |
| ΔvapH | 31.33 | kJ/mol | 361.10 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [142.36; 314.28] | 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 | 4.93430e+01 | |||
| Coefficient B | 3.52440e-01 | |||
| Coefficient C | -2.62000e-05 | |||
| Coefficient D | -6.13000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 142.36 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 168.04 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 192.52 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 215.62 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 237.14 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 256.89 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 274.67 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 290.29 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 303.56 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 314.28 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0016583; 0.0001826] | Pa×s | [206.69; 372.19] |
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 | -1.13632e+01 | |||
| Coefficient B | 1.02542e+03 | |||
| 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. | 206.69 | |||
| Temperature range, max. | 372.19 | |||
| η | 0.0016583 | Pa×s | 206.69 | Calculated Property |
| η | 0.0011057 | Pa×s | 225.08 | Calculated Property |
| η | 0.0007838 | Pa×s | 243.47 | Calculated Property |
| η | 0.0005831 | Pa×s | 261.86 | Calculated Property |
| η | 0.0004510 | Pa×s | 280.24 | Calculated Property |
| η | 0.0003600 | Pa×s | 298.63 | Calculated Property |
| η | 0.0002950 | Pa×s | 317.02 | Calculated Property |
| η | 0.0002470 | Pa×s | 335.41 | Calculated Property |
| η | 0.0002107 | Pa×s | 353.80 | Calculated Property |
| η | 0.0001826 | Pa×s | 372.19 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [265.32; 449.75] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.15689e+01 | |||
| Coefficient B | -2.59148e+03 | |||
| Coefficient C | -3.56060e+01 | |||
| Temperature range, min. | 265.32 | |||
| Temperature range, max. | 449.75 | |||
| Pvap | 1.33 | kPa | 265.32 | Calculated Property |
| Pvap | 3.36 | kPa | 285.81 | Calculated Property |
| Pvap | 7.36 | kPa | 306.30 | Calculated Property |
| Pvap | 14.43 | kPa | 326.80 | Calculated Property |
| Pvap | 25.90 | kPa | 347.29 | Calculated Property |
| Pvap | 43.26 | kPa | 367.78 | Calculated Property |
| Pvap | 68.08 | kPa | 388.27 | Calculated Property |
| Pvap | 101.92 | kPa | 408.77 | Calculated Property |
| Pvap | 146.30 | kPa | 429.26 | Calculated Property |
| Pvap | 202.64 | kPa | 449.75 | Calculated Property |
| Pvap | [2.32; 66.24] | kPa | [273.00; 348.00] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.40702e+01 | |||
| Coefficient B | -2.92467e+03 | |||
| Coefficient C | -5.18910e+01 | |||
| Reference | Nicolini and Laffitte, 1949 | |||
| Comment | Coefficents calculated by NIST from author's data. | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 348.00 | |||
| Pvap | 2.32 | kPa | 273.00 | Calculated Property |
| Pvap | 3.76 | kPa | 281.33 | Calculated Property |
| Pvap | 5.87 | kPa | 289.67 | Calculated Property |
| Pvap | 8.91 | kPa | 298.00 | Calculated Property |
| Pvap | 13.14 | kPa | 306.33 | Calculated Property |
| Pvap | 18.92 | kPa | 314.67 | Calculated Property |
| Pvap | 26.64 | kPa | 323.00 | Calculated Property |
| Pvap | 36.75 | kPa | 331.33 | Calculated Property |
| Pvap | 49.76 | kPa | 339.67 | Calculated Property |
| Pvap | 66.24 | kPa | 348.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Ethane, 1,1'-[methylenebis(oxy)]bis-.
Mixtures
- Ethane, 1,1'-[methylenebis(oxy)]bis- + 1,2-Ethanediol + Ethanol
- Ethane, 1,1'-[methylenebis(oxy)]bis- + 1,3-Propanediol + Ethanol
- Ethane, 1,1'-[methylenebis(oxy)]bis- + 1,4-Butanediol + Ethanol
- Ethane, 1,1'-[methylenebis(oxy)]bis- + Ethanol + Formamide
- Ethane, 1,1'-[methylenebis(oxy)]bis- + 1,2-Ethanediol
- Ethane, 1,1'-[methylenebis(oxy)]bis- + 1,3-Propanediol
- Ethane, 1,1'-[methylenebis(oxy)]bis- + 1,4-Butanediol
- Ethane, 1,1'-[methylenebis(oxy)]bis- + Formamide
Sources
- 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).
- IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 7 ChEDL chemicals 1.5.2, from Kudchadker, A. P.; Ambrose, D.; Tsonopoulos, C. Vapor-Liquid Critical Properties of Elements and Compounds. 7. Oxygen Compounds Other Than Alkanols and Cycloalkanols. J. Chem. Eng. Data 2001, 46, 457-479.
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Partial molar volumes of organic solutes in water. XVIII: Selected polyethers(aq) and 3,6-dioxa-1-heptanol(aq) at T = (298 to 573) K and at pressures up to 30 MPa
- Measurement and thermodynamic modeling of ternary (liquid + liquid) equilibrium for extraction of ethanol from diethoxymethane solution with different solvents
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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