- InChI
- InChI=1S/C8H16N2O4/c1-4-13-7(11)9-6(3)10-8(12)14-5-2/h6H,4-5H2,1-3H3,(H,9,11)(H,10,12)
- InChI Key
- HJKLTZHYQUEWLY-UHFFFAOYSA-N
- Formula
- C8H16N2O4
- SMILES
- CCOC(=O)NC(C)NC(=O)OCC
- Molecular Weight1
- 204.22
- CAS
- 539-71-9
- Other Names
-
- Carbamic acid, ethylenebis-, diethyl ester
- Carbamic acid, ethylidenedi-, diethyl ester
- Diethyl ethyldienebis-carbamate
- Diethyl ethylenedicarbamate
- Ethylidene diurethan
- Ethylidene diurethane
- N,N'-Ethylidene-bis(ethyl carbamate)
- ω : Acentric Factor.
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°solid : Solid 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).
- 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).
- 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 | 0.6917 | Relay (1.0) Calculated Property | |
| ΔcH°solid | -4453.90 ± 4.20 | kJ/mol | NIST |
| ΔfG° | -427.92 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -869.48 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°solid | -980.90 ± 4.20 | kJ/mol | NIST |
| ΔfusH° | 31.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.28 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.97 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.60 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.825 | Crippen Calculated Property | |
| McVol | 158.420 | ml/mol | McGowan Calculated Property |
| Pc | 2651.56 | kPa | Joback Calculated Property |
| Tboil | 508.78 | K | Relay (1.0) Calculated Property |
| Tc | 715.16 | K | Relay (1.0) Calculated Property |
| Tfus | 331.99 | K | Relay (1.0) Calculated Property |
| Vc | 0.598 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [239.92; 522.59] | 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 | 4.23320e+01 | |||
| Coefficient B | 8.12560e-01 | |||
| Coefficient C | -3.22600e-04 | |||
| Coefficient D | -9.70000e-09 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 239.92 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 288.99 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 333.72 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 374.07 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 410.02 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 441.53 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 468.57 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 491.12 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 509.13 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 522.59 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Carbamic acid, ethylidenebis-, diethyl ester.
Sources
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