- InChI
- InChI=1S/C19H34O2/c1-2-3-4-5-6-7-8-9-12-17-21-19(20)16-15-18-13-10-11-14-18/h9,12,18H,2-8,10-11,13-17H2,1H3/b12-9+
- InChI Key
- HHBQQAXSWFNVSD-FMIVXFBMSA-N
- Formula
- C19H34O2
- SMILES
- CCCCCCCCC=CCOC(=O)CCC1CCCC1
- Molecular Weight1
- 294.47
- 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).
- 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 | 0.7619 | Relay (1.0) Calculated Property | |
| ΔfG° | -84.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -649.43 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 43.47 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.44 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.11 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.13 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.807 | Crippen Calculated Property | |
| McVol | 270.850 | ml/mol | McGowan Calculated Property |
| Pc | 1270.97 | kPa | Joback Calculated Property |
| Inp | 2135.40 | NIST | |
| Tboil | 609.10 | K | Relay (1.0) Calculated Property |
| Tc | 806.21 | K | Relay (1.0) Calculated Property |
| Tfus | 237.69 | K | Relay (1.0) Calculated Property |
| Vc | 0.986 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [377.65; 960.38] | 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 | -6.36400e+01 | |||
| Coefficient B | 1.90572e+00 | |||
| Coefficient C | -1.12640e-03 | |||
| Coefficient D | 2.44700e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 377.65 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 480.42 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 571.87 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 652.79 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 723.95 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 786.12 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 840.07 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 886.58 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 926.43 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 960.38 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0028325; 0.0001457] | Pa×s | [352.04; 628.24] |
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 | -1.26168e+01 | |||
| Coefficient B | 2.37634e+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. | 352.04 | |||
| Temperature range, max. | 628.24 | |||
| η | 0.0028325 | Pa×s | 352.04 | Calculated Property |
| η | 0.0016486 | Pa×s | 382.73 | Calculated Property |
| η | 0.0010398 | Pa×s | 413.42 | Calculated Property |
| η | 0.0006989 | Pa×s | 444.11 | Calculated Property |
| η | 0.0004946 | Pa×s | 474.80 | Calculated Property |
| η | 0.0003650 | Pa×s | 505.48 | Calculated Property |
| η | 0.0002789 | Pa×s | 536.17 | Calculated Property |
| η | 0.0002194 | Pa×s | 566.86 | Calculated Property |
| η | 0.0001769 | Pa×s | 597.55 | Calculated Property |
| η | 0.0001457 | Pa×s | 628.24 | Calculated Property |
Similar Compounds
Find more compounds similar to 3-Cyclopentylpropionic acid, undec-2-enyl ester.
Sources
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