- InChI
- InChI=1S/C3H7NO3/c1-2-3-7-4(5)6/h2-3H2,1H3
- InChI Key
- JNTOKFNBDFMTIV-UHFFFAOYSA-N
- Formula
- C3H7NO3
- SMILES
- CCCO[N+](=O)[O-]
- Molecular Weight1
- 105.09
- CAS
- 627-13-4
- Other Names
-
- Monopropyl nitrate
- Nitrate de propyle normal
- Propyl nitrate
- Propylester kyseliny dusicne
- UN 1865
- n-C3H7ONO2
- n-Propyl nitrate
- ω : Acentric Factor.
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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.
- γ : Surface Tension (N/m).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.4416 | Relay (1.0) Calculated Property | |
| ΔcH°liquid | -1966.00 ± 1.00 | kJ/mol | NIST |
| ΔfH°gas | -169.96 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°liquid | -215.00 ± 1.00 | kJ/mol | NIST |
| ΔfusH° | 16.07 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 40.58 | kJ/mol | NIST |
| IE | 11.07 ± 0.02 | eV | NIST |
| log10WS | -0.96 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.605 | Crippen Calculated Property | |
| McVol | 76.420 | ml/mol | McGowan Calculated Property |
| Pc | 4379.97 | kPa | Joback Calculated Property |
| Inp | [700.00; 700.00] |
|
|
| Inp | 700.00 | NIST | |
| Inp | 700.00 | NIST | |
| Tboil | [383.60; 383.70] | K |
|
| Tboil | 383.70 ± 0.50 | K | NIST |
| Tboil | 383.60 ± 1.50 | K | NIST |
| Tc | 566.88 | K | Relay (1.0) Calculated Property |
| Tfus | 173.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 41.70 | kJ/mol | 308.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [111.70; 238.83] | 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 | 3.11520e+01 | |||
| Coefficient B | 3.24980e-01 | |||
| Coefficient C | -1.06800e-04 | |||
| Coefficient D | -1.05000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 111.70 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 132.29 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 151.34 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 168.83 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 184.70 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 198.94 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 211.50 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 222.36 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 231.48 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 238.83 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [283.53; 408.21] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.48152e+01 | |||
| Coefficient B | -3.42648e+03 | |||
| Coefficient C | -4.76680e+01 | |||
| Temperature range, min. | 283.53 | |||
| Temperature range, max. | 408.21 | |||
| Pvap | 1.33 | kPa | 283.53 | Calculated Property |
| Pvap | 2.99 | kPa | 297.38 | Calculated Property |
| Pvap | 6.14 | kPa | 311.24 | Calculated Property |
| Pvap | 11.75 | kPa | 325.09 | Calculated Property |
| Pvap | 21.15 | kPa | 338.94 | Calculated Property |
| Pvap | 36.07 | kPa | 352.80 | Calculated Property |
| Pvap | 58.75 | kPa | 366.65 | Calculated Property |
| Pvap | 91.87 | kPa | 380.50 | Calculated Property |
| Pvap | 138.63 | kPa | 394.36 | Calculated Property |
| Pvap | 202.66 | kPa | 408.21 | Calculated Property |
| Pvap | [0.70; 25.25] | kPa | [273.00; 343.00] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.58005e+01 | |||
| Coefficient B | -3.96441e+03 | |||
| Coefficient C | -2.76600e+01 | |||
| Reference | Gray and Pratt, 1957, 3 | |||
| Comment | Coefficents calculated by NIST from author's data. | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 343.00 | |||
| Pvap | 0.70 | kPa | 273.00 | Calculated Property |
| Pvap | 1.15 | kPa | 280.78 | Calculated Property |
| Pvap | 1.83 | kPa | 288.56 | Calculated Property |
| Pvap | 2.84 | kPa | 296.33 | Calculated Property |
| Pvap | 4.31 | kPa | 304.11 | Calculated Property |
| Pvap | 6.38 | kPa | 311.89 | Calculated Property |
| Pvap | 9.25 | kPa | 319.67 | Calculated Property |
| Pvap | 13.15 | kPa | 327.44 | Calculated Property |
| Pvap | 18.37 | kPa | 335.22 | Calculated Property |
| Pvap | 25.25 | kPa | 343.00 | Calculated Property |
| Pvap | [0.70; 25.25] | kPa | [273.00; 343.00] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.58005e+01 | |||
| Coefficient B | -3.96441e+03 | |||
| Coefficient C | -2.76600e+01 | |||
| Reference | Gray and Pratt, 1957 | |||
| Comment | Coefficents calculated by NIST from author's data. | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 343.00 | |||
| Pvap | 0.70 | kPa | 273.00 | Calculated Property |
| Pvap | 1.15 | kPa | 280.78 | Calculated Property |
| Pvap | 1.83 | kPa | 288.56 | Calculated Property |
| Pvap | 2.84 | kPa | 296.33 | Calculated Property |
| Pvap | 4.31 | kPa | 304.11 | Calculated Property |
| Pvap | 6.38 | kPa | 311.89 | Calculated Property |
| Pvap | 9.25 | kPa | 319.67 | Calculated Property |
| Pvap | 13.15 | kPa | 327.44 | Calculated Property |
| Pvap | 18.37 | kPa | 335.22 | Calculated Property |
| Pvap | 25.25 | kPa | 343.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| γ | [0.04; 0.02] | N/m | [173.15; 383.25] |
Jasper (1972), surface tension of pure liquid compounds Compiled value
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is γ in N/m, T in K | |||
| Coefficient A | 6.34587e-02 | |||
| Coefficient B | -1.23700e-04 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 173.15 | |||
| Temperature range, max. | 383.25 | |||
| γ | 0.04 | N/m | 173.15 | Calculated Property |
| γ | 0.04 | N/m | 196.49 | Calculated Property |
| γ | 0.04 | N/m | 219.84 | Calculated Property |
| γ | 0.03 | N/m | 243.18 | Calculated Property |
| γ | 0.03 | N/m | 266.53 | Calculated Property |
| γ | 0.03 | N/m | 289.87 | Calculated Property |
| γ | 0.02 | N/m | 313.22 | Calculated Property |
| γ | 0.02 | N/m | 336.56 | Calculated Property |
| γ | 0.02 | N/m | 359.91 | Calculated Property |
| γ | 0.02 | N/m | 383.25 | Calculated Property |
Similar Compounds
Find more compounds similar to Nitric acid, propyl ester.
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).
- Jasper (1972), surface tension of pure liquid compounds ChEDL chemicals 1.5.2, from Jasper, J. J. The Surface Tension of Pure Liquid Compounds. J. Phys. Chem. Ref. Data 1972, 1, 841-1010 (as transcribed in Lange's Handbook).
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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