- InChI
- InChI=1S/CH3NO3/c1-5-2(3)4/h1H3
- InChI Key
- LRMHVVPPGGOAJQ-UHFFFAOYSA-N
- Formula
- CH3NO3
- SMILES
- CO[N+](=O)[O-]
- Molecular Weight1
- 77.04
- CAS
- 598-58-3
- Other Names
-
- CH3ONO2
- METHYL ESTER
- Methylester kyseliny dusicne
- NITRIC ACID
- Nitric acid, methyl ester
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (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).
- 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).
- Pc : Critical Pressure (kPa).
- Pvap : Vapor pressure (kPa).
- Inp : Non-polar retention indices.
- ΔfusS : Entropy of fusion at a given temperature (J/mol×K).
- S°liquid : Liquid phase molar entropy at standard conditions (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 |
|---|---|---|---|
| PAff | 733.60 | kJ/mol | NIST |
| BasG | 714.80 | kJ/mol | NIST |
| ΔfG° | -111.91 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -122.00 ± 1.00 | kJ/mol | NIST |
| ΔfusH° | 10.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 34.10 | kJ/mol | NIST |
| IE | 11.53 ± 0.01 | eV | NIST |
| log10WS | -0.40 | Crippen Calculated Property | |
| logPoct/wat | -0.176 | Crippen Calculated Property | |
| McVol | 48.240 | ml/mol | McGowan Calculated Property |
| Pc | 5747.92 | kPa | Joback Calculated Property |
| Inp | [525.00; 548.00] |
|
|
| Inp | 525.00 | NIST | |
| Inp | 548.00 | NIST | |
| S°liquid | 216.98 | J/mol×K | NIST |
| Tboil | [337.75; 338.15] | K |
|
| Tboil | 337.75 | K | KDB |
| Tboil | 338.00 ± 0.50 | K | NIST |
| Tboil | 338.15 ± 1.50 | K | NIST |
| Tboil | 338.15 ± 1.50 | K | NIST |
| Tc | 609.66 | K | Joback Calculated Property |
| Tfus | 190.19 | K | KDB |
| Ttriple | 190.20 ± 0.10 | K | NIST |
| Vc | 0.192 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [84.67; 108.23] | J/mol×K | [396.54; 609.66] |
|
| Cp,gas | 84.67 | J/mol×K | 396.54 | Joback Calculated Property |
| Cp,gas | 88.90 | J/mol×K | 432.06 | Joback Calculated Property |
| Cp,gas | 93.01 | J/mol×K | 467.58 | Joback Calculated Property |
| Cp,gas | 97.02 | J/mol×K | 503.10 | Joback Calculated Property |
| Cp,gas | 100.89 | J/mol×K | 538.62 | Joback Calculated Property |
| Cp,gas | 104.64 | J/mol×K | 574.14 | Joback Calculated Property |
| Cp,gas | 108.23 | J/mol×K | 609.66 | Joback Calculated Property |
| Cp,liquid | 157.19 | J/mol×K | 298.20 | NIST |
| ΔfusH | [8.24; 8.24] | kJ/mol | [190.20; 190.20] |
|
| ΔfusH | 8.24 | kJ/mol | 190.20 | NIST |
| ΔfusH | 8.24 | kJ/mol | 190.20 | NIST |
| ΔfusH | 8.24 | kJ/mol | 190.20 | NIST |
| ΔvapH | 34.80 | kJ/mol | 288.00 | NIST |
| ΔfusS | 43.33 | J/mol×K | 190.20 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 212.09] | kPa | [248.33; 361.42] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.49000e+01 | |||
| Coefficient B | -3.11085e+03 | |||
| Coefficient C | -3.54360e+01 | |||
| Temperature range, min. | 248.33 | |||
| Temperature range, max. | 361.42 | |||
| Pvap | 1.33 | kPa | 248.33 | Calculated Property |
| Pvap | 3.01 | kPa | 260.90 | Calculated Property |
| Pvap | 6.24 | kPa | 273.46 | Calculated Property |
| Pvap | 12.01 | kPa | 286.03 | Calculated Property |
| Pvap | 21.73 | kPa | 298.59 | Calculated Property |
| Pvap | 37.24 | kPa | 311.16 | Calculated Property |
| Pvap | 60.90 | kPa | 323.72 | Calculated Property |
| Pvap | 95.57 | kPa | 336.29 | Calculated Property |
| Pvap | 144.67 | kPa | 348.85 | Calculated Property |
| Pvap | 212.09 | kPa | 361.42 | Calculated Property |
Similar Compounds
Find more compounds similar to Methyl nitrate.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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