- InChI
- InChI=1S/C12H22O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h7-8H,2-6,9-11H2,1H3,(H,13,14)/b8-7-
- InChI Key
- IJBFSOLHRKELLR-FPLPWBNLSA-N
- Formula
- C12H22O2
- SMILES
- CCCCCCC=CCCCC(=O)O
- Molecular Weight1
- 198.30
- CAS
- 2430-94-6
- 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).
- 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 |
|---|---|---|---|
| ω | 0.8179 | Relay (1.0) Calculated Property | |
| ΔfG° | -213.53 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -581.53 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 37.18 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 97.64 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.20 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.63 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.768 | Crippen Calculated Property | |
| McVol | 183.080 | ml/mol | McGowan Calculated Property |
| Pc | 2012.70 | kPa | Joback Calculated Property |
| Inp | [1560.10; 1561.80] |
|
|
| Inp | 1560.10 | NIST | |
| Inp | 1561.80 | NIST | |
| Inp | 1560.10 | NIST | |
| Tboil | 558.98 | K | Relay (1.0) Calculated Property |
| Tc | 748.99 | K | Relay (1.0) Calculated Property |
| Tfus | 276.34 | K | Relay (1.0) Calculated Property |
| Vc | 0.679 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [259.67; 618.62] | 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 | -1.76020e+01 | |||
| Coefficient B | 1.21462e+00 | |||
| Coefficient C | -7.85400e-04 | |||
| Coefficient D | 2.07000e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 259.67 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 322.97 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 378.89 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 428.08 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 471.20 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 508.91 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 541.84 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 570.67 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 596.04 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 618.62 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0014421; 0.0002198] | Pa×s | [380.52; 565.84] |
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 | -1.22852e+01 | |||
| Coefficient B | 2.18554e+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. | 380.52 | |||
| Temperature range, max. | 565.84 | |||
| η | 0.0014421 | Pa×s | 380.52 | Calculated Property |
| η | 0.0010739 | Pa×s | 401.11 | Calculated Property |
| η | 0.0008230 | Pa×s | 421.70 | Calculated Property |
| η | 0.0006466 | Pa×s | 442.29 | Calculated Property |
| η | 0.0005190 | Pa×s | 462.89 | Calculated Property |
| η | 0.0004244 | Pa×s | 483.48 | Calculated Property |
| η | 0.0003529 | Pa×s | 504.07 | Calculated Property |
| η | 0.0002977 | Pa×s | 524.66 | Calculated Property |
| η | 0.0002543 | Pa×s | 545.25 | Calculated Property |
| η | 0.0002198 | Pa×s | 565.84 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [437.32; 634.23] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.39339e+01 | |||
| Coefficient B | -4.61171e+03 | |||
| Coefficient C | -9.93740e+01 | |||
| Temperature range, min. | 437.32 | |||
| Temperature range, max. | 634.23 | |||
| Pvap | 1.33 | kPa | 437.32 | Calculated Property |
| Pvap | 3.06 | kPa | 459.20 | Calculated Property |
| Pvap | 6.37 | kPa | 481.08 | Calculated Property |
| Pvap | 12.27 | kPa | 502.96 | Calculated Property |
| Pvap | 22.08 | kPa | 524.84 | Calculated Property |
| Pvap | 37.51 | kPa | 546.71 | Calculated Property |
| Pvap | 60.67 | kPa | 568.59 | Calculated Property |
| Pvap | 94.00 | kPa | 590.47 | Calculated Property |
| Pvap | 140.30 | kPa | 612.35 | Calculated Property |
| Pvap | 202.66 | kPa | 634.23 | Calculated Property |
Similar Compounds
Find more compounds similar to cis-5-Dodecenoic acid.
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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