- InChI
- InChI=1S/C8H17NO3/c1-2-3-4-5-6-7-8-12-9(10)11/h2-8H2,1H3
- InChI Key
- TXQBMQNFXYOIPT-UHFFFAOYSA-N
- Formula
- C8H17NO3
- SMILES
- CCCCCCCCO[N+](=O)[O-]
- Molecular Weight1
- 175.23
- CAS
- 629-39-0
- Other Names
-
- 1-Octyl nitrate
- Octyl nitrate
- n-Octyl nitrate
- 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).
- 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° | -52.97 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -351.43 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 29.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.40 | kJ/mol | Joback Calculated Property |
| log10WS | -3.33 | Crippen Calculated Property | |
| logPoct/wat | 2.555 | Crippen Calculated Property | |
| McVol | 146.870 | ml/mol | McGowan Calculated Property |
| Pc | 2522.65 | kPa | Joback Calculated Property |
| Inp | [1208.00; 1208.00] |
|
|
| Inp | 1208.00 | NIST | |
| Inp | 1208.00 | NIST | |
| Tboil | 556.70 | K | Joback Calculated Property |
| Tc | 751.43 | K | Joback Calculated Property |
| Tfus | 345.76 | K | Joback Calculated Property |
| Vc | 0.584 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [363.01; 434.64] | J/mol×K | [556.70; 751.43] |
|
| Cp,gas | 363.01 | J/mol×K | 556.70 | Joback Calculated Property |
| Cp,gas | 376.46 | J/mol×K | 589.16 | Joback Calculated Property |
| Cp,gas | 389.28 | J/mol×K | 621.61 | Joback Calculated Property |
| Cp,gas | 401.51 | J/mol×K | 654.07 | Joback Calculated Property |
| Cp,gas | 413.13 | J/mol×K | 686.52 | Joback Calculated Property |
| Cp,gas | 424.17 | J/mol×K | 718.98 | Joback Calculated Property |
| Cp,gas | 434.64 | J/mol×K | 751.43 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [351.00; 525.77] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.33370e+01 | |||
| Coefficient B | -3.64327e+03 | |||
| Coefficient C | -7.18100e+01 | |||
| Temperature range, min. | 351.00 | |||
| Temperature range, max. | 525.77 | |||
| Pvap | 1.33 | kPa | 351.00 | Calculated Property |
| Pvap | 3.11 | kPa | 370.42 | Calculated Property |
| Pvap | 6.56 | kPa | 389.84 | Calculated Property |
| Pvap | 12.69 | kPa | 409.26 | Calculated Property |
| Pvap | 22.83 | kPa | 428.68 | Calculated Property |
| Pvap | 38.66 | kPa | 448.09 | Calculated Property |
| Pvap | 62.18 | kPa | 467.51 | Calculated Property |
| Pvap | 95.65 | kPa | 486.93 | Calculated Property |
| Pvap | 141.58 | kPa | 506.35 | Calculated Property |
| Pvap | 202.65 | kPa | 525.77 | Calculated Property |
Similar Compounds
Find more compounds similar to Nitric acid, octyl ester.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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