- InChI
- InChI=1S/C12H25NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15/h2-12H2,1H3
- InChI Key
- MQEMKUTWMALMCC-UHFFFAOYSA-N
- Formula
- C12H25NO2
- SMILES
- CCCCCCCCCCCC[N+](=O)[O-]
- Molecular Weight1
- 215.34
- CAS
- 16891-99-9
- Other Names
-
- Dodecane, 1-nitro-
- ω : Acentric Factor.
- 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).
- 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).
- 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 | 0.7572 | Relay (1.0) Calculated Property | |
| ΔfG° | 85.71 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -346.66 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 38.20 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.40 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.22 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.59 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.184 | Crippen Calculated Property | |
| McVol | 197.360 | ml/mol | McGowan Calculated Property |
| Pc | 1798.51 | kPa | Joback Calculated Property |
| Tboil | 550.36 | K | Relay (1.0) Calculated Property |
| Tc | 756.45 | K | Relay (1.0) Calculated Property |
| Tfus | 275.15 | K | Relay (1.0) Calculated Property |
| Vc | 0.758 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [287.22; 684.65] | 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 | -2.52900e+00 | |||
| Coefficient B | 1.24318e+00 | |||
| Coefficient C | -7.07400e-04 | |||
| Coefficient D | 1.51400e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 287.22 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 355.45 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 416.54 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 470.98 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 519.24 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 561.80 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 599.15 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 631.75 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 660.09 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 684.65 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [433.12; 614.78] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.45334e+01 | |||
| Coefficient B | -4.75054e+03 | |||
| Coefficient C | -9.96520e+01 | |||
| Temperature range, min. | 433.12 | |||
| Temperature range, max. | 614.78 | |||
| Pvap | 1.33 | kPa | 433.12 | Calculated Property |
| Pvap | 3.01 | kPa | 453.30 | Calculated Property |
| Pvap | 6.21 | kPa | 473.49 | Calculated Property |
| Pvap | 11.90 | kPa | 493.67 | Calculated Property |
| Pvap | 21.42 | kPa | 513.86 | Calculated Property |
| Pvap | 36.50 | kPa | 534.04 | Calculated Property |
| Pvap | 59.32 | kPa | 554.23 | Calculated Property |
| Pvap | 92.50 | kPa | 574.41 | Calculated Property |
| Pvap | 139.11 | kPa | 594.60 | Calculated Property |
| Pvap | 202.63 | kPa | 614.78 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-NITRODODECANE.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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