- InChI
- InChI=1S/C10H18O2/c1-3-4-5-6-7-8-9-10(11)12-2/h8-9H,3-7H2,1-2H3/b9-8+
- InChI Key
- ZWNPUELCBZVMDA-CMDGGOBGSA-N
- Formula
- C10H18O2
- SMILES
- CCCCCCC=CC(=O)OC
- Molecular Weight1
- 170.25
- CAS
- 111-79-5
- Other Names
-
- Methyl 2-nonenoate
- Methyl nonylenate
- Neofolione
- methyl non-2-enoate
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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 | 0.5545 | Relay (1.0) Calculated Property | |
| ΔfG° | -196.83 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -463.56 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 26.23 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.59 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.74 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.73 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.686 | Crippen Calculated Property | |
| McVol | 154.900 | ml/mol | McGowan Calculated Property |
| Pc | 2222.89 | kPa | Joback Calculated Property |
| Tboil | 463.41 | K | Relay (1.0) Calculated Property |
| Tc | 669.06 | K | Relay (1.0) Calculated Property |
| Tfus | 235.96 | K | Relay (1.0) Calculated Property |
| Vc | 0.575 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [219.95; 512.76] | 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 | 5.02500e+00 | |||
| Coefficient B | 9.19040e-01 | |||
| Coefficient C | -5.09400e-04 | |||
| Coefficient D | 9.81000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 219.95 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 270.75 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 316.25 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 356.78 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 392.64 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 424.14 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 451.59 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 475.31 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 495.60 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 512.76 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0055282; 0.0002064] | Pa×s | [239.71; 467.37] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.19477e+01 | |||
| Coefficient B | 1.61800e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 239.71 | |||
| Temperature range, max. | 467.37 | |||
| η | 0.0055282 | Pa×s | 239.71 | Calculated Property |
| η | 0.0029025 | Pa×s | 265.01 | Calculated Property |
| η | 0.0017050 | Pa×s | 290.30 | Calculated Property |
| η | 0.0010907 | Pa×s | 315.60 | Calculated Property |
| η | 0.0007456 | Pa×s | 340.89 | Calculated Property |
| η | 0.0005372 | Pa×s | 366.19 | Calculated Property |
| η | 0.0004038 | Pa×s | 391.48 | Calculated Property |
| η | 0.0003142 | Pa×s | 416.78 | Calculated Property |
| η | 0.0002516 | Pa×s | 442.07 | Calculated Property |
| η | 0.0002064 | Pa×s | 467.37 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [368.99; 510.11] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.57305e+01 | |||
| Coefficient B | -4.51965e+03 | |||
| Coefficient C | -7.63250e+01 | |||
| Temperature range, min. | 368.99 | |||
| Temperature range, max. | 510.11 | |||
| Pvap | 1.33 | kPa | 368.99 | Calculated Property |
| Pvap | 2.92 | kPa | 384.67 | Calculated Property |
| Pvap | 5.94 | kPa | 400.35 | Calculated Property |
| Pvap | 11.31 | kPa | 416.03 | Calculated Property |
| Pvap | 20.35 | kPa | 431.71 | Calculated Property |
| Pvap | 34.82 | kPa | 447.39 | Calculated Property |
| Pvap | 57.06 | kPa | 463.07 | Calculated Property |
| Pvap | 89.97 | kPa | 478.75 | Calculated Property |
| Pvap | 137.09 | kPa | 494.43 | Calculated Property |
| Pvap | 202.64 | kPa | 510.11 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Nonenoic acid, methyl ester.
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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