- InChI
- InChI=1S/C10H18O2/c1-2-12-10(11)8-7-9-5-3-4-6-9/h9H,2-8H2,1H3
- InChI Key
- XBPSVBXDXASTJT-UHFFFAOYSA-N
- Formula
- C10H18O2
- SMILES
- CCOC(=O)CCC1CCCC1
- Molecular Weight1
- 170.25
- CAS
- 17931-64-5
- 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 | 0.4846 | Relay (1.0) Calculated Property | |
| ΔfG° | -240.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -526.07 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.96 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.16 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.49 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.86 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.520 | Crippen Calculated Property | |
| McVol | 148.340 | ml/mol | McGowan Calculated Property |
| Pc | 2517.59 | kPa | Joback Calculated Property |
| Inp | [1250.00; 1250.00] |
|
|
| Inp | 1250.00 | NIST | |
| Inp | 1250.00 | NIST | |
| Tboil | 487.75 | K | Relay (1.0) Calculated Property |
| Tc | 696.65 | K | Relay (1.0) Calculated Property |
| Tfus | 211.94 | K | Relay (1.0) Calculated Property |
| Vc | 0.540 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [200.73; 526.64] | 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 | -4.12770e+01 | |||
| Coefficient B | 1.03072e+00 | |||
| Coefficient C | -5.53000e-04 | |||
| Coefficient D | 9.02000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 200.73 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 258.15 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 309.60 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 355.37 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 395.75 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 431.01 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 461.44 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 487.34 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 508.98 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 526.64 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0054329; 0.0003016] | Pa×s | [255.69; 488.07] |
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 | -1.12877e+01 | |||
| Coefficient B | 1.55266e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 255.69 | |||
| Temperature range, max. | 488.07 | |||
| η | 0.0054329 | Pa×s | 255.69 | Calculated Property |
| η | 0.0031128 | Pa×s | 281.51 | Calculated Property |
| η | 0.0019584 | Pa×s | 307.33 | Calculated Property |
| η | 0.0013239 | Pa×s | 333.15 | Calculated Property |
| η | 0.0009468 | Pa×s | 358.97 | Calculated Property |
| η | 0.0007083 | Pa×s | 384.79 | Calculated Property |
| η | 0.0005496 | Pa×s | 410.61 | Calculated Property |
| η | 0.0004394 | Pa×s | 436.43 | Calculated Property |
| η | 0.0003602 | Pa×s | 462.25 | Calculated Property |
| η | 0.0003016 | Pa×s | 488.07 | Calculated Property |
Similar Compounds
Find more compounds similar to 3-Cyclopentylpropionic acid, ethyl ester.
Sources
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