- InChI
- InChI=1S/C3H7NO2/c1-3(2)4(5)6/h3H,1-2H3
- InChI Key
- FGLBSLMDCBOPQK-UHFFFAOYSA-N
- Formula
- C3H7NO2
- SMILES
- CC(C)[N+](=O)[O-]
- Molecular Weight1
- 89.09
- CAS
- 79-46-9
- Other Names
-
- 2-NP
- 2-Nitropropane
- Dimethylnitromethane
- Isonitropropane
- NSC 5369
- Nipar S-20
- Nipar S-20 solvent
- Nipar S-30 solvent
- Nitroisopropane
- Rcra waste number U171
- i-C3H7NO2
- sec-Nitropropane
- «beta»-Nitropropane
- «beta»-Nitropropane
- ω : Acentric Factor.
- ΔcH°liquid : Standard liquid 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°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).
- NFPA Fire : NFPA Fire Rating.
- NFPA Health : NFPA Health Rating.
- NFPA Safety : NFPA Safety Rating.
- Pc : Critical Pressure (kPa).
- Pvap : Vapor pressure (kPa).
- Inp : Non-polar retention indices.
- I : 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 | 0.3340 | KDB | |
| ΔcH°liquid | [-2000.70; -1997.60] | kJ/mol |
|
| ΔcH°liquid | -2000.70 ± 3.60 | kJ/mol | NIST |
| ΔcH°liquid | -1997.60 ± 0.71 | kJ/mol | NIST |
| ΔfG° | 7.49 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -121.29 | kJ/mol | Joback Calculated Property |
| ΔfH°liquid | [-183.20; -180.30] | kJ/mol |
|
| ΔfH°liquid | -180.30 ± 0.84 | kJ/mol | NIST |
| ΔfH°liquid | -183.20 ± 0.71 | kJ/mol | NIST |
| ΔfusH° | 11.36 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [41.30; 43.90] | kJ/mol |
|
| ΔvapH° | 43.90 | kJ/mol | NIST |
| ΔvapH° | 41.30 ± 0.42 | kJ/mol | NIST |
| IE | [10.48; 10.77] | eV |
|
| IE | 10.74 ± 0.03 | eV | NIST |
| IE | 10.48 | eV | NIST |
| IE | 10.77 ± 0.01 | eV | NIST |
| IE | 10.71 ± 0.05 | eV | NIST |
| log10WS | [-0.62; -0.62] |
|
|
| log10WS | -0.62 | Aq. Sol... | |
| log10WS | -0.62 | Estimat... | |
| logPoct/wat | 0.671 | Crippen Calculated Property | |
| McVol | 70.550 | ml/mol | McGowan Calculated Property |
| NFPA Fire | 2 | KDB | |
| NFPA Health | 1 | KDB | |
| NFPA Safety | 3 | KDB | |
| Pc | 4150.00 | kPa | KDB |
| Inp | [631.00; 686.00] |
|
|
| Inp | Outlier 631.00 | NIST | |
| Inp | 676.00 | NIST | |
| Inp | 686.00 | NIST | |
| Inp | 686.00 | NIST | |
| Inp | 683.00 | NIST | |
| Inp | 672.00 | NIST | |
| Inp | 672.00 | NIST | |
| Inp | 685.00 | NIST | |
| Inp | 660.00 | NIST | |
| Inp | 676.00 | NIST | |
| Inp | 685.00 | NIST | |
| I | [1109.00; 1129.00] |
|
|
| I | 1129.00 | NIST | |
| I | 1109.00 | NIST | |
| I | 1109.00 | NIST | |
| Tboil | [393.30; 393.50] | K |
|
| Tboil | 393.30 | K | KDB |
| Tboil | 393.50 | K | NIST |
| Tboil | 393.40 ± 0.05 | K | NIST |
| Tboil | 393.50 ± 0.60 | K | NIST |
| Tc | 597.00 | K | KDB |
| Tfus | [180.00; 181.83] | K |
|
| Tfus | 180.72 | K | Aq. Sol... |
| Tfus | 180.00 | K | KDB |
| Tfus | 181.83 ± 0.05 | K | NIST |
| Vc | 0.280 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [133.62; 176.19] | J/mol×K | [419.44; 634.16] |
|
| Cp,gas | 133.62 | J/mol×K | 419.44 | Joback Calculated Property |
| Cp,gas | 141.71 | J/mol×K | 455.23 | Joback Calculated Property |
| Cp,gas | 149.38 | J/mol×K | 491.01 | Joback Calculated Property |
| Cp,gas | 156.65 | J/mol×K | 526.80 | Joback Calculated Property |
| Cp,gas | 163.54 | J/mol×K | 562.59 | Joback Calculated Property |
| Cp,gas | 170.04 | J/mol×K | 598.37 | Joback Calculated Property |
| Cp,gas | 176.19 | J/mol×K | 634.16 | Joback Calculated Property |
| ΔvapH | [35.15; 40.90] | kJ/mol | [339.00; 393.30] |
|
| ΔvapH | 40.90 | kJ/mol | 339.00 | NIST |
| ΔvapH | 35.15 | kJ/mol | 393.30 | KDB |
| Pvap | [0.60; 5.61] | kPa | [274.70; 314.10] |
|
| Pvap | 0.61 | kPa | 274.70 | Aliphat... |
| Pvap | 0.60 | kPa | 274.80 | Aliphat... |
| Pvap | 0.60 | kPa | 274.80 | Aliphat... |
| Pvap | 0.80 | kPa | 279.50 | Aliphat... |
| Pvap | 0.83 | kPa | 279.60 | Aliphat... |
| Pvap | 1.09 | kPa | 284.40 | Aliphat... |
| Pvap | 1.09 | kPa | 284.40 | Aliphat... |
| Pvap | 1.46 | kPa | 289.30 | Aliphat... |
| Pvap | 1.95 | kPa | 294.20 | Aliphat... |
| Pvap | 1.90 | kPa | 294.30 | Aliphat... |
| Pvap | 2.57 | kPa | 299.20 | Aliphat... |
| Pvap | 3.34 | kPa | 304.10 | Aliphat... |
| Pvap | 3.34 | kPa | 304.20 | Aliphat... |
| Pvap | 4.30 | kPa | 309.10 | Aliphat... |
| Pvap | 5.61 | kPa | 314.10 | Aliphat... |
| Pvap | 5.56 | kPa | 314.10 | Aliphat... |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [288.38; 418.85] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.52250e+01 | |||
| Coefficient B | -3.84564e+03 | |||
| Coefficient C | -3.09300e+01 | |||
| Temperature range, min. | 288.38 | |||
| Temperature range, max. | 418.85 | |||
| Pvap | 1.33 | kPa | 288.38 | Calculated Property |
| Pvap | 2.96 | kPa | 302.88 | Calculated Property |
| Pvap | 6.05 | kPa | 317.37 | Calculated Property |
| Pvap | 11.54 | kPa | 331.87 | Calculated Property |
| Pvap | 20.77 | kPa | 346.37 | Calculated Property |
| Pvap | 35.49 | kPa | 360.86 | Calculated Property |
| Pvap | 57.96 | kPa | 375.36 | Calculated Property |
| Pvap | 90.98 | kPa | 389.86 | Calculated Property |
| Pvap | 137.91 | kPa | 404.35 | Calculated Property |
| Pvap | 202.65 | kPa | 418.85 | Calculated Property |
| Pvap | [3.42e-05; 4339.63] | kPa | [181.83; 594.00] |
KDB Vap...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 6.10809e+01 | |||
| Coefficient B | -6.61815e+03 | |||
| Coefficient C | -6.74802e+00 | |||
| Coefficient D | 4.35069e-06 | |||
| Temperature range, min. | 181.83 | |||
| Temperature range, max. | 594.00 | |||
| Pvap | 3.42e-05 | kPa | 181.83 | Calculated Property |
| Pvap | 0.01 | kPa | 227.63 | Calculated Property |
| Pvap | 0.52 | kPa | 273.42 | Calculated Property |
| Pvap | 6.58 | kPa | 319.22 | Calculated Property |
| Pvap | 41.12 | kPa | 365.02 | Calculated Property |
| Pvap | 163.17 | kPa | 410.81 | Calculated Property |
| Pvap | 478.28 | kPa | 456.61 | Calculated Property |
| Pvap | 1138.53 | kPa | 502.41 | Calculated Property |
| Pvap | 2341.64 | kPa | 548.20 | Calculated Property |
| Pvap | 4339.63 | kPa | 594.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Propane, 2-nitro-.
Mixtures
Sources
- KDB Vapor Pressure Data
- Crippen Method
- Aliphatic nitroalkanes: Evaluation of thermochemical data with complementary experimental and computational methods
- Critical Assessment of CO2 Solubility in Volatile Solvents at 298.15 K
- Joback Method
- KDB
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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.
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