- InChI
- InChI=1S/C10H18O3/c1-3-5-7-9-13-10(11)12-8-6-4-2/h4H,2-3,5-9H2,1H3
- InChI Key
- YHKXBTBQWQTTJP-UHFFFAOYSA-N
- Formula
- C10H18O3
- SMILES
- C=CCCOC(=O)OCCCCC
- Molecular Weight1
- 186.25
- 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 | 0.6180 | Relay (1.0) Calculated Property | |
| ΔfG° | -294.21 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -625.12 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 25.93 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.31 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.87 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.93 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.906 | Crippen Calculated Property | |
| McVol | 160.770 | ml/mol | McGowan Calculated Property |
| Pc | 2167.36 | kPa | Joback Calculated Property |
| Inp | [1238.00; 1238.00] |
|
|
| Inp | 1238.00 | NIST | |
| Inp | 1238.00 | NIST | |
| Tboil | 490.78 | K | Relay (1.0) Calculated Property |
| Tc | 645.45 | K | Relay (1.0) Calculated Property |
| Tfus | 198.91 | K | Relay (1.0) Calculated Property |
| Vc | 0.605 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [239.55; 533.34] | 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 | 4.17160e+01 | |||
| Coefficient B | 8.15820e-01 | |||
| Coefficient C | -3.37500e-04 | |||
| Coefficient D | 1.33000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 239.55 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 288.68 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 333.59 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 374.33 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 410.92 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 443.43 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 471.88 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 496.32 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 516.79 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 533.34 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0036354; 0.0002159] | Pa×s | [265.26; 474.47] |
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 | -1.20209e+01 | |||
| Coefficient B | 1.69869e+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. | 265.26 | |||
| Temperature range, max. | 474.47 | |||
| η | 0.0036354 | Pa×s | 265.26 | Calculated Property |
| η | 0.0021700 | Pa×s | 288.51 | Calculated Property |
| η | 0.0013989 | Pa×s | 311.75 | Calculated Property |
| η | 0.0009585 | Pa×s | 335.00 | Calculated Property |
| η | 0.0006898 | Pa×s | 358.24 | Calculated Property |
| η | 0.0005167 | Pa×s | 381.49 | Calculated Property |
| η | 0.0004001 | Pa×s | 404.73 | Calculated Property |
| η | 0.0003185 | Pa×s | 427.98 | Calculated Property |
| η | 0.0002596 | Pa×s | 451.22 | Calculated Property |
| η | 0.0002159 | Pa×s | 474.47 | Calculated Property |
Similar Compounds
Find more compounds similar to Carbonic acid, but-3-en-1-yl pentyl ester.
Sources
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