- InChI
- InChI=1S/C8H14O2/c1-2-4-7-5-3-6-8(9)10-7/h7H,2-6H2,1H3
- InChI Key
- FYTRVXSHONWYNE-UHFFFAOYSA-N
- Formula
- C8H14O2
- SMILES
- CCCC1CCCC(=O)O1
- Molecular Weight1
- 142.20
- Other Names
-
- 5-Hydroxyoctanoic acid lactone
- 5-Hydroxyoctanoic acid «delta»-lactone
- 5-Octanolide
- 5-octanolide («delta»-octalactone)
- D-octanolactone
- Octanoic acid, 5-hydroxy-, «delta»-lactone
- tetrahydro-6-propyl-2H-pyran-2-one
- «beta»-Octalactone
- «delta»-Octalactone
- «delta»-Octanolactone
- «delta»-Octanolide
- «delta»-Propylvalerolactone
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pvap : Vapor pressure (kPa).
- Inp : Non-polar retention indices.
- Ip : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -468.00 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.00 ± 0.20 | kJ/mol | NIST |
| logPoct/wat | 1.882 | Crippen Calculated Property | |
| McVol | 120.160 | ml/mol | McGowan Calculated Property |
| Inp | [1241.00; 1306.00] |
|
|
| Inp | 1288.00 | NIST | |
| Inp | 1287.00 | NIST | |
| Inp | 1306.00 | NIST | |
| Inp | 1292.00 | NIST | |
| Inp | 1288.00 | NIST | |
| Inp | 1302.00 | NIST | |
| Inp | 1298.00 | NIST | |
| Inp | 1287.00 | NIST | |
| Inp | 1283.00 | NIST | |
| Inp | 1287.00 | NIST | |
| Inp | 1290.00 | NIST | |
| Inp | 1287.00 | NIST | |
| Inp | 1306.00 | NIST | |
| Inp | 1270.00 | NIST | |
| Inp | 1283.00 | NIST | |
| Inp | 1283.00 | NIST | |
| Inp | 1250.00 | NIST | |
| Inp | 1292.00 | NIST | |
| Inp | 1270.00 | NIST | |
| Inp | 1266.00 | NIST | |
| Inp | 1295.00 | NIST | |
| Inp | 1270.00 | NIST | |
| Inp | 1268.00 | NIST | |
| Inp | 1290.00 | NIST | |
| Inp | Outlier 1243.00 | NIST | |
| Inp | Outlier 1241.00 | NIST | |
| Inp | 1252.00 | NIST | |
| Inp | 1287.00 | NIST | |
| Inp | 1297.00 | NIST | |
| Inp | 1289.00 | NIST | |
| Inp | 1288.00 | NIST | |
| Inp | 1252.00 | NIST | |
| Inp | 1250.00 | NIST | |
| Inp | 1266.00 | NIST | |
| Ip | [1929.00; 2002.00] |
|
|
| Ip | Outlier 1929.00 | NIST | |
| Ip | 1965.00 | NIST | |
| Ip | 1974.00 | NIST | |
| Ip | 1988.00 | NIST | |
| Ip | 1980.00 | NIST | |
| Ip | 1966.00 | NIST | |
| Ip | 1973.00 | NIST | |
| Ip | 1977.00 | NIST | |
| Ip | 1977.00 | NIST | |
| Ip | 1976.00 | NIST | |
| Ip | 1988.00 | NIST | |
| Ip | 1964.00 | NIST | |
| Ip | 1964.00 | NIST | |
| Ip | 1977.00 | NIST | |
| Ip | 1970.00 | NIST | |
| Ip | 1999.00 | NIST | |
| Ip | 1947.00 | NIST | |
| Ip | 1953.00 | NIST | |
| Ip | 1989.00 | NIST | |
| Ip | 1993.00 | NIST | |
| Ip | 1976.00 | NIST | |
| Ip | 1967.00 | NIST | |
| Ip | 1988.00 | NIST | |
| Ip | 1989.00 | NIST | |
| Ip | 1985.00 | NIST | |
| Ip | 1990.00 | NIST | |
| Ip | 1947.00 | NIST | |
| Ip | 1993.00 | NIST | |
| Ip | 1984.00 | NIST | |
| Ip | 1975.00 | NIST | |
| Ip | 1980.00 | NIST | |
| Ip | 1986.00 | NIST | |
| Ip | 1985.00 | NIST | |
| Ip | 2002.00 | NIST | |
| Ip | 1964.00 | NIST | |
| Ip | 1948.00 | NIST | |
| Ip | 1949.00 | NIST | |
| Ip | 1988.00 | NIST | |
| Ip | 1988.00 | NIST | |
| Ip | 1976.00 | NIST | |
| Ip | 1941.00 | NIST | |
| Ip | Outlier 1929.00 | NIST | |
| Ip | 1977.00 | NIST | |
| Ip | 1966.00 | NIST | |
| Ip | 1955.00 | NIST | |
| Ip | 1956.00 | NIST | |
| Ip | 1989.00 | NIST | |
| Ip | 1988.00 | NIST | |
| Ip | 1977.00 | NIST | |
| Tboil | 535.19 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [163.19; 421.68] | 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 | -3.43380e+01 | |||
| Coefficient B | 8.50320e-01 | |||
| Coefficient C | -4.90600e-04 | |||
| Coefficient D | 9.63000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 163.19 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 209.35 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 250.43 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 286.75 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 318.61 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 346.32 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 370.17 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 390.48 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 407.55 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 421.68 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0036699; 0.0003634] | Pa×s | [236.67; 451.22] |
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 | -1.04708e+01 | |||
| Coefficient B | 1.15097e+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. | 236.67 | |||
| Temperature range, max. | 451.22 | |||
| η | 0.0036699 | Pa×s | 236.67 | Calculated Property |
| η | 0.0023517 | Pa×s | 260.51 | Calculated Property |
| η | 0.0016237 | Pa×s | 284.35 | Calculated Property |
| η | 0.0011872 | Pa×s | 308.19 | Calculated Property |
| η | 0.0009080 | Pa×s | 332.03 | Calculated Property |
| η | 0.0007198 | Pa×s | 355.87 | Calculated Property |
| η | 0.0005875 | Pa×s | 379.71 | Calculated Property |
| η | 0.0004912 | Pa×s | 403.55 | Calculated Property |
| η | 0.0004190 | Pa×s | 427.38 | Calculated Property |
| η | 0.0003634 | Pa×s | 451.22 | Calculated Property |
Similar Compounds
Find more compounds similar to 2H-Pyran-2-one, tetrahydro-6-propyl-.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Vapour pressures and enthalpies of vaporization of a series of d-lactones
- Vapor pressures and enthalpies of vaporization of a series of .gamma. and .delta.-lactones by correlation gas chromatography
- Joback Method
- McGowan Method
- NIST Webbook
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