- InChI
- InChI=1S/C4H9NO3/c1-2-3-4-8-5(6)7/h2-4H2,1H3
- InChI Key
- QQHZPQUHCAKSOL-UHFFFAOYSA-N
- Formula
- C4H9NO3
- SMILES
- CCCCO[N+](=O)[O-]
- Molecular Weight1
- 119.12
- CAS
- 928-45-0
- Other Names
-
- Butyl nitrate
- n-C4H9ONO2
- 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).
- 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).
- 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.
- 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 |
|---|---|---|---|
| ΔfG° | -86.65 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -268.87 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.67 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 43.60 | kJ/mol | NIST |
| log10WS | -1.66 | Crippen Calculated Property | |
| logPoct/wat | 0.995 | Crippen Calculated Property | |
| McVol | 90.510 | ml/mol | McGowan Calculated Property |
| Pc | 3872.29 | kPa | Joback Calculated Property |
| Inp | 801.00 | NIST | |
| Tboil | 409.20 | K | NIST |
| Tc | 670.81 | K | Joback Calculated Property |
| Tfus | 300.68 | K | Joback Calculated Property |
| Vc | 0.359 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [190.87; 239.85] | J/mol×K | [465.18; 670.81] | 
|
| Cp,gas | 190.87 | J/mol×K | 465.18 | Joback Calculated Property |
| Cp,gas | 199.97 | J/mol×K | 499.45 | Joback Calculated Property |
| Cp,gas | 208.69 | J/mol×K | 533.72 | Joback Calculated Property |
| Cp,gas | 217.04 | J/mol×K | 567.99 | Joback Calculated Property |
| Cp,gas | 225.02 | J/mol×K | 602.26 | Joback Calculated Property |
| Cp,gas | 232.62 | J/mol×K | 636.53 | Joback Calculated Property |
| Cp,gas | 239.85 | J/mol×K | 670.81 | Joback Calculated Property |
| ΔvapH | 44.10 | kJ/mol | 308.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [301.92; 435.63] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.46241e+01 | |||
| Coefficient B | -3.55345e+03 | |||
| Coefficient C | -5.40600e+01 | |||
| Temperature range, min. | 301.92 | |||
| Temperature range, max. | 435.63 | |||
| Pvap | 1.33 | kPa | 301.92 | Calculated Property |
| Pvap | 3.00 | kPa | 316.78 | Calculated Property |
| Pvap | 6.19 | kPa | 331.63 | Calculated Property |
| Pvap | 11.85 | kPa | 346.49 | Calculated Property |
| Pvap | 21.33 | kPa | 361.35 | Calculated Property |
| Pvap | 36.36 | kPa | 376.20 | Calculated Property |
| Pvap | 59.13 | kPa | 391.06 | Calculated Property |
| Pvap | 92.29 | kPa | 405.92 | Calculated Property |
| Pvap | 138.95 | kPa | 420.77 | Calculated Property |
| Pvap | 202.63 | kPa | 435.63 | Calculated Property |
Similar Compounds
Find more compounds similar to Nitric acid, butyl ester.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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