- InChI
- InChI=1S/C2H5NO2/c1-2-3(4)5/h2H2,1H3
- InChI Key
- MCSAJNNLRCFZED-UHFFFAOYSA-N
- Formula
- C2H5NO2
- SMILES
- CC[N+](=O)[O-]
- Molecular Weight1
- 75.07
- CAS
- 79-24-3
- Other Names
-
- C2H5NO2
- NE
- Nitroetan
- Nitroethane
- Nitroparaffin
- UN 2842
- ω : Acentric Factor.
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,liquid : Liquid phase 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°liquid : Liquid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔfusH : Enthalpy of fusion at a given temperature (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).
- NFPA Fire : NFPA Fire Rating.
- NFPA Health : NFPA Health Rating.
- NFPA Safety : NFPA Safety Rating.
- Pc : Critical Pressure (kPa).
- Pvap : Vapor pressure (kPa).
- n0 : Refractive Index.
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- ΔfusS : Entropy of fusion at a given temperature (J/mol×K).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Ttriple : Triple Point Temperature (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 | 0.3410 | KDB | |
| PAff | 765.70 | kJ/mol | NIST |
| BasG | 733.20 | kJ/mol | NIST |
| ΔcH°liquid | [-1361.60; -1358.00] | kJ/mol |
|
| ΔcH°liquid | -1358.00 ± 0.40 | kJ/mol | NIST |
| ΔcH°liquid | -1358.00 ± 1.00 | kJ/mol | NIST |
| ΔcH°liquid | -1361.60 ± 1.30 | kJ/mol | NIST |
| ΔfG° | 1.51 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -95.37 | kJ/mol | Joback Calculated Property |
| ΔfH°liquid | [-144.00; -140.10] | kJ/mol |
|
| ΔfH°liquid | -144.00 ± 0.40 | kJ/mol | NIST |
| ΔfH°liquid | -143.60 ± 1.10 | kJ/mol | NIST |
| ΔfH°liquid | -140.10 ± 1.30 | kJ/mol | NIST |
| ΔfusH° | 12.30 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 41.60 ± 0.42 | kJ/mol | NIST |
| IE | [10.88; 11.02] | eV |
|
| IE | 10.90 ± 0.05 | eV | NIST |
| IE | 10.92 ± 0.01 | eV | NIST |
| IE | 10.88 ± 0.05 | eV | NIST |
| IE | 11.02 | eV | NIST |
| log10WS | [-0.22; -0.22] |
|
|
| log10WS | -0.22 | Aq. Sol... | |
| log10WS | -0.22 | Estimat... | |
| logPoct/wat | 0.283 | Crippen Calculated Property | |
| McVol | 56.460 | ml/mol | McGowan Calculated Property |
| NFPA Fire | 3 | KDB | |
| NFPA Health | 1 | KDB | |
| NFPA Safety | 2 | KDB | |
| Pc | 4850.00 | kPa | KDB |
| Inp | [567.80; 655.00] |
|
|
| Inp | 618.58 | NIST | |
| Inp | 619.51 | NIST | |
| Inp | 620.51 | NIST | |
| Inp | 616.27 | NIST | |
| Inp | 615.97 | NIST | |
| Inp | 615.90 | NIST | |
| Inp | 616.07 | NIST | |
| Inp | 616.25 | NIST | |
| Inp | 616.67 | NIST | |
| Inp | 617.22 | NIST | |
| Inp | 617.81 | NIST | |
| Inp | Outlier 567.80 | NIST | |
| Inp | Outlier 572.00 | NIST | |
| Inp | 638.00 | NIST | |
| Inp | 638.00 | NIST | |
| Inp | 634.00 | NIST | |
| Inp | 592.00 | NIST | |
| Inp | 609.00 | NIST | |
| Inp | 623.00 | NIST | |
| Inp | 598.00 | NIST | |
| Inp | 590.00 | NIST | |
| Inp | 583.00 | NIST | |
| Inp | 636.89 | NIST | |
| Inp | 590.00 | NIST | |
| Inp | 618.00 | NIST | |
| Inp | 623.00 | NIST | |
| Inp | 618.00 | NIST | |
| Inp | Outlier 655.00 | NIST | |
| Inp | 590.00 | NIST | |
| Inp | 618.58 | NIST | |
| Inp | 615.90 | NIST | |
| Inp | 617.81 | NIST | |
| Inp | 634.00 | NIST | |
| I | [1161.00; 1199.20] |
|
|
| I | 1194.20 | NIST | |
| I | 1196.20 | NIST | |
| I | 1199.20 | NIST | |
| I | 1179.40 | NIST | |
| I | 1181.30 | NIST | |
| I | 1183.90 | NIST | |
| I | 1187.30 | NIST | |
| I | 1190.20 | NIST | |
| I | 1168.00 | NIST | |
| I | 1161.00 | NIST | |
| I | 1161.00 | NIST | |
| Tboil | [387.00; 388.20] | K |
|
| Tboil | 387.20 | K | KDB |
| Tboil | 388.20 | K | NIST |
| Tboil | 387.90 ± 0.25 | K | NIST |
| Tboil | 387.22 ± 0.05 | K | NIST |
| Tboil | 387.40 ± 0.60 | K | NIST |
| Tboil | 387.00 ± 0.60 | K | NIST |
| Tboil | 387.65 ± 2.00 | K | NIST |
| Tc | 595.00 | K | KDB |
| Tfus | [183.63; 223.00] | K |
|
| Tfus | 183.90 | K | Aq. Sol... |
| Tfus | 223.00 | K | KDB |
| Tfus | 183.63 ± 0.05 | K | NIST |
| Ttriple | 183.69 ± 0.04 | K | NIST |
| Vc | 0.230 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [99.23; 131.79] | J/mol×K | [397.00; 608.77] |
|
| Cp,gas | 99.23 | J/mol×K | 397.00 | Joback Calculated Property |
| Cp,gas | 105.38 | J/mol×K | 432.30 | Joback Calculated Property |
| Cp,gas | 111.24 | J/mol×K | 467.59 | Joback Calculated Property |
| Cp,gas | 116.79 | J/mol×K | 502.89 | Joback Calculated Property |
| Cp,gas | 122.07 | J/mol×K | 538.18 | Joback Calculated Property |
| Cp,gas | 127.07 | J/mol×K | 573.48 | Joback Calculated Property |
| Cp,gas | 131.79 | J/mol×K | 608.77 | Joback Calculated Property |
| Cp,liquid | 134.22 | J/mol×K | 298.15 | NIST |
| ΔfusH | [9.85; 9.85] | kJ/mol | [183.69; 183.70] |
|
| ΔfusH | 9.85 | kJ/mol | 183.69 | NIST |
| ΔfusH | 9.85 | kJ/mol | 183.70 | NIST |
| ΔfusH | 9.85 | kJ/mol | 183.70 | NIST |
| ΔvapH | [35.15; 41.30] | kJ/mol | [319.50; 387.20] |
|
| ΔvapH | 41.30 | kJ/mol | 319.50 | NIST |
| ΔvapH | 38.60 | kJ/mol | 356.00 | NIST |
| ΔvapH | 35.15 | kJ/mol | 387.20 | KDB |
| Pvap | [6.10; 33.11] | kPa | [313.15; 353.15] |
|
| Pvap | 6.10 | kPa | 313.15 | Vapor-L... |
| Pvap | 33.11 | kPa | 353.15 | Vapor-L... |
| n0 | [1.38950; 1.38980] | [298.15; 298.15] |
|
|
| n0 | 1.38951 | 298.15 | Isother... | |
| n0 | 1.38950 | 298.15 | Isother... | |
| n0 | 1.38980 | 298.15 | Isother... | |
| ΔfusS | 53.64 | J/mol×K | 183.69 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [285.14; 412.27] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.52739e+01 | |||
| Coefficient B | -3.77809e+03 | |||
| Coefficient C | -3.30350e+01 | |||
| Temperature range, min. | 285.14 | |||
| Temperature range, max. | 412.27 | |||
| Pvap | 1.33 | kPa | 285.14 | Calculated Property |
| Pvap | 2.95 | kPa | 299.27 | Calculated Property |
| Pvap | 6.04 | kPa | 313.39 | Calculated Property |
| Pvap | 11.52 | kPa | 327.52 | Calculated Property |
| Pvap | 20.73 | kPa | 341.64 | Calculated Property |
| Pvap | 35.42 | kPa | 355.77 | Calculated Property |
| Pvap | 57.87 | kPa | 369.89 | Calculated Property |
| Pvap | 90.89 | kPa | 384.02 | Calculated Property |
| Pvap | 137.84 | kPa | 398.14 | Calculated Property |
| Pvap | 202.65 | kPa | 412.27 | Calculated Property |
| Pvap | [5.26e-05; 5001.53] | kPa | [183.63; 593.00] |
KDB Vap...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 6.04445e+01 | |||
| Coefficient B | -6.61641e+03 | |||
| Coefficient C | -6.59835e+00 | |||
| Coefficient D | 3.87418e-06 | |||
| Temperature range, min. | 183.63 | |||
| Temperature range, max. | 593.00 | |||
| Pvap | 5.26e-05 | kPa | 183.63 | Calculated Property |
| Pvap | 0.02 | kPa | 229.12 | Calculated Property |
| Pvap | 0.66 | kPa | 274.60 | Calculated Property |
| Pvap | 8.23 | kPa | 320.09 | Calculated Property |
| Pvap | 50.58 | kPa | 365.57 | Calculated Property |
| Pvap | 198.20 | kPa | 411.06 | Calculated Property |
| Pvap | 574.39 | kPa | 456.54 | Calculated Property |
| Pvap | 1351.02 | kPa | 502.03 | Calculated Property |
| Pvap | 2741.27 | kPa | 547.51 | Calculated Property |
| Pvap | 5001.53 | kPa | 593.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Ethane, nitro-.
Mixtures
- Butane, 1-chloro- + Ethane, nitro-
- Ethane, nitro- + Pentane, 1-chloro-
- Butane, 1,4-dichloro- + Ethane, nitro-
- Ethane, nitro- + 2-Propanol, 1-methoxy-
- Ethane, nitro- + Propane, 1,3-dichloro-
- Ethane, nitro- + Ethane, 1,2-dichloro-
Sources
- KDB Pure (Korean Thermophysical Properties Databank)
- KDB Vapor Pressure Data
- Crippen Method
- Isothermal vapour liquid equilibria for 1,2-dichloroethane + nitromethane and + nitroethane binary systems at temperatures between 333.15 and 353.15K
- Isothermal vapor liquid equilibria and excess Gibbs free energies in some binary nitroalkane + chloroalkane mixtures at temperatures from 298.15 K to 318.15 K
- Isothermal (vapour + liquid) equilibria for (nitromethane or nitroethane + 1,4-dichlorobutane) binary systems at temperatures between (343.15 and 363.15) K
- Vapor-Liquid Equilibria on Four Binary Systems: 2-Phenylpropionaldehyde + Phenol, Propylene Glycol Monomethyl Ether + Nitroethane, Dimethyl Ether + Propylene, and N-Butyric Acid + Propionic Acid
- Isothermal Vapor Liquid Equilibria for Nitromethane and Nitroethane + 1,3-Dichloropropane Binary Systems at Temperatures between (343.15 and 363.15) K
- Joback Method
- KDB
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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