- InChI
- InChI=1S/C13H24O3/c1-3-5-7-8-9-10-12-16-13(14)15-11-6-4-2/h4H,2-3,5-12H2,1H3
- InChI Key
- VLBCFEVGRUTYNX-UHFFFAOYSA-N
- Formula
- C13H24O3
- SMILES
- C=CCCOC(=O)OCCCCCCCC
- Molecular Weight1
- 228.33
- 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 | 0.7321 | Relay (1.0) Calculated Property | |
| ΔfG° | -268.95 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -685.16 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 33.70 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.64 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.72 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.21 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.076 | Crippen Calculated Property | |
| McVol | 203.040 | ml/mol | McGowan Calculated Property |
| Pc | 1685.18 | kPa | Joback Calculated Property |
| Inp | [1533.00; 1533.00] |
|
|
| Inp | 1533.00 | NIST | |
| Inp | 1533.00 | NIST | |
| Tboil | 543.45 | K | Relay (1.0) Calculated Property |
| Tc | 690.88 | K | Relay (1.0) Calculated Property |
| Tfus | 220.00 | K | Relay (1.0) Calculated Property |
| Vc | 0.770 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [303.19; 688.11] | 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 | 3.89890e+01 | |||
| Coefficient B | 1.10082e+00 | |||
| Coefficient C | -5.00700e-04 | |||
| Coefficient D | 4.90000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 303.19 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 367.94 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 426.83 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 480.01 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 527.66 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 569.91 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 606.92 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 638.86 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 665.87 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 688.11 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0030587; 0.0001832] | Pa×s | [299.07; 520.09] |
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 | -1.24142e+01 | |||
| Coefficient B | 1.98117e+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. | 299.07 | |||
| Temperature range, max. | 520.09 | |||
| η | 0.0030587 | Pa×s | 299.07 | Calculated Property |
| η | 0.0018502 | Pa×s | 323.63 | Calculated Property |
| η | 0.0012015 | Pa×s | 348.19 | Calculated Property |
| η | 0.0008258 | Pa×s | 372.74 | Calculated Property |
| η | 0.0005946 | Pa×s | 397.30 | Calculated Property |
| η | 0.0004448 | Pa×s | 421.86 | Calculated Property |
| η | 0.0003435 | Pa×s | 446.42 | Calculated Property |
| η | 0.0002726 | Pa×s | 470.98 | Calculated Property |
| η | 0.0002213 | Pa×s | 495.53 | Calculated Property |
| η | 0.0001832 | Pa×s | 520.09 | Calculated Property |
Similar Compounds
Find more compounds similar to Carbonic acid, but-3-en-1-yl octyl ester.
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