- InChI
- InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8H,5-6,9H2,1-4H3/b8-7+
- InChI Key
- PSQYTAPXSHCGMF-BQYQJAHWSA-N
- Formula
- C13H20O
- SMILES
- CC(=O)C=CC1=C(C)CCCC1(C)C
- Molecular Weight1
- 192.30
- CAS
- 79-77-6
- Other Names
-
- 3-Buten-2-one, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (E)-
- (E)-«beta»-Ionone
- 4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-3-buten-2-one
- «beta»-E-Ionone
- [E]-4-[2,6,6-trimethyl-1-cyclohexen-1-yl]-3-buten-2-one
- 3-Buten-2-one, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (3E)-
- «beta»-Ionone
- «beta»-lonone
- (E)-4-(2,6,6-Trimethylcyclohexen-1-yl)-3-buten-2-one
- (3E)-4-(2,6,6-trimethylcyclohex-1-enyl)-3-buten-2-one (dihydro-«beta»-ionone)
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,liquid : Liquid phase heat capacity (J/mol×K).
- ΔfH°liquid : Liquid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- Tboilr : Boiling point at reduced pressure (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔcH°liquid | -7712.40 ± 3.50 | kJ/mol | NIST |
| ΔfH°liquid | -261.50 ± 3.50 | kJ/mol | NIST |
| ΔfusH° | 17.21 | kJ/mol | Joback Calculated Property |
| IE | 8.45 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.658 | Crippen Calculated Property | |
| McVol | 176.140 | ml/mol | McGowan Calculated Property |
| Inp | [1436.00; 1516.00] |
|
|
| Inp | 1462.00 | NIST | |
| Inp | 1467.00 | NIST | |
| Inp | 1472.00 | NIST | |
| Inp | 1474.00 | NIST | |
| Inp | 1470.10 | NIST | |
| Inp | 1469.00 | NIST | |
| Inp | 1469.00 | NIST | |
| Inp | 1458.00 | NIST | |
| Inp | 1477.00 | NIST | |
| Inp | 1477.00 | NIST | |
| Inp | 1488.00 | NIST | |
| Inp | 1500.00 | NIST | |
| Inp | 1500.00 | NIST | |
| Inp | 1490.00 | NIST | |
| Inp | 1485.00 | NIST | |
| Inp | 1475.00 | NIST | |
| Inp | 1500.00 | NIST | |
| Inp | 1503.00 | NIST | |
| Inp | 1469.00 | NIST | |
| Inp | 1489.00 | NIST | |
| Inp | 1485.00 | NIST | |
| Inp | 1469.00 | NIST | |
| Inp | 1459.00 | NIST | |
| Inp | 1462.00 | NIST | |
| Inp | 1467.00 | NIST | |
| Inp | 1469.00 | NIST | |
| Inp | 1498.00 | NIST | |
| Inp | 1454.00 | NIST | |
| Inp | 1455.00 | NIST | |
| Inp | 1470.00 | NIST | |
| Inp | 1470.00 | NIST | |
| Inp | 1489.00 | NIST | |
| Inp | 1496.00 | NIST | |
| Inp | 1463.00 | NIST | |
| Inp | 1485.00 | NIST | |
| Inp | 1494.00 | NIST | |
| Inp | 1484.00 | NIST | |
| Inp | 1482.00 | NIST | |
| Inp | 1485.00 | NIST | |
| Inp | 1485.00 | NIST | |
| Inp | 1491.00 | NIST | |
| Inp | 1484.00 | NIST | |
| Inp | 1475.00 | NIST | |
| Inp | 1482.00 | NIST | |
| Inp | 1484.00 | NIST | |
| Inp | 1482.00 | NIST | |
| Inp | 1500.00 | NIST | |
| Inp | 1486.00 | NIST | |
| Inp | 1486.00 | NIST | |
| Inp | 1486.00 | NIST | |
| Inp | 1484.00 | NIST | |
| Inp | 1462.00 | NIST | |
| Inp | 1488.00 | NIST | |
| Inp | 1483.90 | NIST | |
| Inp | 1488.90 | NIST | |
| Inp | 1493.00 | NIST | |
| Inp | 1482.00 | NIST | |
| Inp | 1483.00 | NIST | |
| Inp | 1488.00 | NIST | |
| Inp | 1491.00 | NIST | |
| Inp | 1489.00 | NIST | |
| Inp | 1485.00 | NIST | |
| Inp | 1486.00 | NIST | |
| Inp | 1485.00 | NIST | |
| Inp | 1485.00 | NIST | |
| Inp | 1485.00 | NIST | |
| Inp | 1460.00 | NIST | |
| Inp | 1485.00 | NIST | |
| Inp | 1486.00 | NIST | |
| Inp | 1485.00 | NIST | |
| Inp | 1494.00 | NIST | |
| Inp | 1488.00 | NIST | |
| Inp | 1485.00 | NIST | |
| Inp | 1470.00 | NIST | |
| Inp | 1483.00 | NIST | |
| Inp | 1484.00 | NIST | |
| Inp | 1485.00 | NIST | |
| Inp | 1482.00 | NIST | |
| Inp | 1480.00 | NIST | |
| Inp | 1485.00 | NIST | |
| Inp | 1470.00 | NIST | |
| Inp | 1483.00 | NIST | |
| Inp | 1484.00 | NIST | |
| Inp | 1477.00 | NIST | |
| Inp | 1486.00 | NIST | |
| Inp | 1488.00 | NIST | |
| Inp | 1473.00 | NIST | |
| Inp | 1470.00 | NIST | |
| Inp | 1493.00 | NIST | |
| Inp | 1484.00 | NIST | |
| Inp | Outlier 1442.00 | NIST | |
| Inp | 1482.00 | NIST | |
| Inp | 1482.00 | NIST | |
| Inp | 1485.00 | NIST | |
| Inp | 1467.00 | NIST | |
| Inp | 1494.00 | NIST | |
| Inp | 1495.00 | NIST | |
| Inp | 1479.00 | NIST | |
| Inp | Outlier 1453.00 | NIST | |
| Inp | 1460.00 | NIST | |
| Inp | 1484.00 | NIST | |
| Inp | 1482.00 | NIST | |
| Inp | 1464.00 | NIST | |
| Inp | 1470.00 | NIST | |
| Inp | Outlier 1452.90 | NIST | |
| Inp | 1458.40 | NIST | |
| Inp | 1469.00 | NIST | |
| Inp | 1460.00 | NIST | |
| Inp | 1460.00 | NIST | |
| Inp | 1459.60 | NIST | |
| Inp | 1457.50 | NIST | |
| Inp | 1470.00 | NIST | |
| Inp | 1480.40 | NIST | |
| Inp | 1461.30 | NIST | |
| Inp | 1468.30 | NIST | |
| Inp | 1472.65 | NIST | |
| Inp | 1498.00 | NIST | |
| Inp | 1498.00 | NIST | |
| Inp | 1490.00 | NIST | |
| Inp | Outlier 1452.00 | NIST | |
| Inp | 1496.00 | NIST | |
| Inp | 1484.00 | NIST | |
| Inp | 1484.00 | NIST | |
| Inp | 1479.00 | NIST | |
| Inp | Outlier 1442.00 | NIST | |
| Inp | 1485.00 | NIST | |
| Inp | 1492.00 | NIST | |
| Inp | 1496.00 | NIST | |
| Inp | 1496.00 | NIST | |
| Inp | 1500.00 | NIST | |
| Inp | 1480.00 | NIST | |
| Inp | 1486.00 | NIST | |
| Inp | 1468.00 | NIST | |
| Inp | 1456.00 | NIST | |
| Inp | 1483.00 | NIST | |
| Inp | 1485.00 | NIST | |
| Inp | 1464.00 | NIST | |
| Inp | 1486.00 | NIST | |
| Inp | 1491.00 | NIST | |
| Inp | 1486.00 | NIST | |
| Inp | 1487.00 | NIST | |
| Inp | 1492.00 | NIST | |
| Inp | 1481.00 | NIST | |
| Inp | 1462.00 | NIST | |
| Inp | 1494.00 | NIST | |
| Inp | 1485.00 | NIST | |
| Inp | 1489.00 | NIST | |
| Inp | 1487.00 | NIST | |
| Inp | 1485.00 | NIST | |
| Inp | 1484.00 | NIST | |
| Inp | 1461.00 | NIST | |
| Inp | 1470.00 | NIST | |
| Inp | 1497.00 | NIST | |
| Inp | 1466.00 | NIST | |
| Inp | 1472.00 | NIST | |
| Inp | 1489.00 | NIST | |
| Inp | 1491.00 | NIST | |
| Inp | 1467.00 | NIST | |
| Inp | 1481.00 | NIST | |
| Inp | 1493.00 | NIST | |
| Inp | 1480.00 | NIST | |
| Inp | 1491.00 | NIST | |
| Inp | 1482.00 | NIST | |
| Inp | 1482.00 | NIST | |
| Inp | 1469.00 | NIST | |
| Inp | 1487.00 | NIST | |
| Inp | 1489.00 | NIST | |
| Inp | 1486.00 | NIST | |
| Inp | 1483.30 | NIST | |
| Inp | 1487.00 | NIST | |
| Inp | 1487.00 | NIST | |
| Inp | 1461.00 | NIST | |
| Inp | 1492.00 | NIST | |
| Inp | 1490.00 | NIST | |
| Inp | 1464.00 | NIST | |
| Inp | 1485.00 | NIST | |
| Inp | 1490.00 | NIST | |
| Inp | 1485.00 | NIST | |
| Inp | 1488.00 | NIST | |
| Inp | 1488.00 | NIST | |
| Inp | 1480.00 | NIST | |
| Inp | 1481.00 | NIST | |
| Inp | 1498.00 | NIST | |
| Inp | 1485.00 | NIST | |
| Inp | 1487.00 | NIST | |
| Inp | 1462.00 | NIST | |
| Inp | 1469.00 | NIST | |
| Inp | 1478.00 | NIST | |
| Inp | 1491.00 | NIST | |
| Inp | 1491.00 | NIST | |
| Inp | 1470.00 | NIST | |
| Inp | 1481.00 | NIST | |
| Inp | 1475.00 | NIST | |
| Inp | 1475.00 | NIST | |
| Inp | 1485.00 | NIST | |
| Inp | 1480.00 | NIST | |
| Inp | 1487.00 | NIST | |
| Inp | 1485.00 | NIST | |
| Inp | 1466.00 | NIST | |
| Inp | 1473.00 | NIST | |
| Inp | 1486.00 | NIST | |
| Inp | 1462.00 | NIST | |
| Inp | 1485.00 | NIST | |
| Inp | 1467.00 | NIST | |
| Inp | 1466.00 | NIST | |
| Inp | 1481.00 | NIST | |
| Inp | 1460.00 | NIST | |
| Inp | 1484.00 | NIST | |
| Inp | 1484.00 | NIST | |
| Inp | 1461.00 | NIST | |
| Inp | 1466.00 | NIST | |
| Inp | 1485.00 | NIST | |
| Inp | 1484.00 | NIST | |
| Inp | 1465.00 | NIST | |
| Inp | 1484.00 | NIST | |
| Inp | 1466.00 | NIST | |
| Inp | 1495.00 | NIST | |
| Inp | 1495.00 | NIST | |
| Inp | 1461.00 | NIST | |
| Inp | 1469.00 | NIST | |
| Inp | 1489.00 | NIST | |
| Inp | 1466.00 | NIST | |
| Inp | 1484.00 | NIST | |
| Inp | 1467.00 | NIST | |
| Inp | 1502.00 | NIST | |
| Inp | 1484.00 | NIST | |
| Inp | 1471.00 | NIST | |
| Inp | 1454.00 | NIST | |
| Inp | 1462.00 | NIST | |
| Inp | 1458.00 | NIST | |
| Inp | 1462.00 | NIST | |
| Inp | 1462.00 | NIST | |
| Inp | 1464.00 | NIST | |
| Inp | 1482.00 | NIST | |
| Inp | 1474.00 | NIST | |
| Inp | 1464.00 | NIST | |
| Inp | 1470.00 | NIST | |
| Inp | 1462.00 | NIST | |
| Inp | 1462.00 | NIST | |
| Inp | 1462.00 | NIST | |
| Inp | 1465.00 | NIST | |
| Inp | 1464.00 | NIST | |
| Inp | 1463.00 | NIST | |
| Inp | Outlier 1452.00 | NIST | |
| Inp | 1463.60 | NIST | |
| Inp | 1463.50 | NIST | |
| Inp | 1467.70 | NIST | |
| Inp | 1462.00 | NIST | |
| Inp | 1465.00 | NIST | |
| Inp | 1463.00 | NIST | |
| Inp | 1460.00 | NIST | |
| Inp | 1478.00 | NIST | |
| Inp | 1490.00 | NIST | |
| Inp | 1460.00 | NIST | |
| Inp | 1490.00 | NIST | |
| Inp | 1497.00 | NIST | |
| Inp | 1486.00 | NIST | |
| Inp | 1489.00 | NIST | |
| Inp | 1505.00 | NIST | |
| Inp | Outlier 1506.00 | NIST | |
| Inp | 1505.00 | NIST | |
| Inp | 1489.00 | NIST | |
| Inp | 1489.00 | NIST | |
| Inp | 1486.00 | NIST | |
| Inp | 1491.00 | NIST | |
| Inp | 1474.00 | NIST | |
| Inp | 1490.00 | NIST | |
| Inp | 1487.00 | NIST | |
| Inp | 1482.00 | NIST | |
| Inp | 1485.00 | NIST | |
| Inp | 1465.00 | NIST | |
| Inp | 1484.00 | NIST | |
| Inp | 1485.00 | NIST | |
| Inp | 1485.00 | NIST | |
| Inp | 1485.00 | NIST | |
| Inp | 1488.00 | NIST | |
| Inp | 1459.00 | NIST | |
| Inp | 1476.00 | NIST | |
| Inp | 1462.00 | NIST | |
| Inp | 1491.00 | NIST | |
| Inp | Outlier 1436.00 | NIST | |
| Inp | 1471.00 | NIST | |
| Inp | 1486.00 | NIST | |
| Inp | 1480.00 | NIST | |
| Inp | 1483.00 | NIST | |
| Inp | 1489.00 | NIST | |
| Inp | 1489.00 | NIST | |
| Inp | 1485.00 | NIST | |
| Inp | 1486.00 | NIST | |
| Inp | 1497.00 | NIST | |
| Inp | 1489.00 | NIST | |
| Inp | 1490.00 | NIST | |
| Inp | 1482.00 | NIST | |
| Inp | 1487.00 | NIST | |
| Inp | 1489.00 | NIST | |
| Inp | 1491.00 | NIST | |
| Inp | 1489.00 | NIST | |
| Inp | 1494.00 | NIST | |
| Inp | 1496.00 | NIST | |
| Inp | 1498.00 | NIST | |
| Inp | 1499.00 | NIST | |
| Inp | Outlier 1513.00 | NIST | |
| Inp | Outlier 1516.00 | NIST | |
| Inp | 1489.00 | NIST | |
| Inp | 1472.00 | NIST | |
| Inp | 1496.00 | NIST | |
| Inp | 1489.00 | NIST | |
| Inp | 1497.00 | NIST | |
| Inp | 1474.00 | NIST | |
| Inp | 1497.00 | NIST | |
| Inp | 1489.00 | NIST | |
| Inp | 1491.00 | NIST | |
| Inp | 1471.00 | NIST | |
| Inp | 1466.00 | NIST | |
| Inp | 1462.00 | NIST | |
| Inp | 1474.00 | NIST | |
| Inp | 1498.00 | NIST | |
| Inp | 1484.00 | NIST | |
| Inp | 1492.00 | NIST | |
| Inp | 1489.00 | NIST | |
| Inp | 1500.00 | NIST | |
| Inp | 1462.00 | NIST | |
| Inp | 1482.00 | NIST | |
| Inp | 1485.00 | NIST | |
| Inp | 1460.00 | NIST | |
| Inp | 1488.00 | NIST | |
| Inp | 1483.00 | NIST | |
| Inp | 1473.00 | NIST | |
| Inp | 1495.00 | NIST | |
| Inp | 1469.00 | NIST | |
| Inp | 1470.00 | NIST | |
| Inp | 1477.00 | NIST | |
| Inp | 1490.00 | NIST | |
| I | [1889.00; 1978.00] |
|
|
| I | 1924.00 | NIST | |
| I | 1953.00 | NIST | |
| I | 1954.00 | NIST | |
| I | 1922.00 | NIST | |
| I | 1917.00 | NIST | |
| I | 1920.00 | NIST | |
| I | Outlier 1891.00 | NIST | |
| I | 1896.00 | NIST | |
| I | 1912.00 | NIST | |
| I | 1912.00 | NIST | |
| I | 1954.00 | NIST | |
| I | 1923.00 | NIST | |
| I | 1958.00 | NIST | |
| I | 1923.00 | NIST | |
| I | 1947.00 | NIST | |
| I | 1951.00 | NIST | |
| I | 1923.00 | NIST | |
| I | 1931.00 | NIST | |
| I | 1937.00 | NIST | |
| I | 1960.00 | NIST | |
| I | 1936.00 | NIST | |
| I | 1952.00 | NIST | |
| I | 1955.00 | NIST | |
| I | Outlier 1890.00 | NIST | |
| I | 1909.00 | NIST | |
| I | 1926.00 | NIST | |
| I | 1910.00 | NIST | |
| I | 1912.00 | NIST | |
| I | 1940.00 | NIST | |
| I | 1954.00 | NIST | |
| I | 1926.00 | NIST | |
| I | 1938.00 | NIST | |
| I | 1938.00 | NIST | |
| I | 1945.00 | NIST | |
| I | 1967.00 | NIST | |
| I | Outlier 1892.00 | NIST | |
| I | 1953.00 | NIST | |
| I | 1953.00 | NIST | |
| I | 1944.00 | NIST | |
| I | 1943.00 | NIST | |
| I | 1954.00 | NIST | |
| I | 1926.00 | NIST | |
| I | 1942.00 | NIST | |
| I | 1938.00 | NIST | |
| I | 1956.00 | NIST | |
| I | 1912.00 | NIST | |
| I | 1931.00 | NIST | |
| I | 1932.20 | NIST | |
| I | 1932.30 | NIST | |
| I | 1931.00 | NIST | |
| I | 1938.00 | NIST | |
| I | 1948.00 | NIST | |
| I | 1948.00 | NIST | |
| I | 1929.00 | NIST | |
| I | 1936.00 | NIST | |
| I | 1937.00 | NIST | |
| I | 1938.00 | NIST | |
| I | 1954.00 | NIST | |
| I | 1928.00 | NIST | |
| I | 1923.20 | NIST | |
| I | 1948.90 | NIST | |
| I | 1911.00 | NIST | |
| I | 1910.00 | NIST | |
| I | 1940.00 | NIST | |
| I | 1941.00 | NIST | |
| I | 1914.00 | NIST | |
| I | 1948.00 | NIST | |
| I | 1897.00 | NIST | |
| I | 1953.00 | NIST | |
| I | 1933.00 | NIST | |
| I | 1922.00 | NIST | |
| I | 1938.00 | NIST | |
| I | 1958.00 | NIST | |
| I | 1902.00 | NIST | |
| I | 1933.00 | NIST | |
| I | Outlier 1889.00 | NIST | |
| I | 1933.00 | NIST | |
| I | 1947.00 | NIST | |
| I | 1936.00 | NIST | |
| I | 1958.00 | NIST | |
| I | 1926.00 | NIST | |
| I | 1937.00 | NIST | |
| I | 1947.00 | NIST | |
| I | 1950.00 | NIST | |
| I | 1915.00 | NIST | |
| I | Outlier 1889.00 | NIST | |
| I | 1930.00 | NIST | |
| I | 1936.00 | NIST | |
| I | 1968.00 | NIST | |
| I | 1907.00 | NIST | |
| I | 1907.00 | NIST | |
| I | 1907.00 | NIST | |
| I | 1947.00 | NIST | |
| I | 1932.00 | NIST | |
| I | Outlier 1978.00 | NIST | |
| I | 1947.00 | NIST | |
| I | 1949.00 | NIST | |
| I | 1933.00 | NIST | |
| I | 1953.00 | NIST | |
| I | 1955.00 | NIST | |
| I | 1947.00 | NIST | |
| I | 1952.00 | NIST | |
| I | 1952.00 | NIST | |
| I | 1943.00 | NIST | |
| I | 1958.00 | NIST | |
| I | 1958.00 | NIST | |
| I | 1955.00 | NIST | |
| I | 1957.00 | NIST | |
| I | 1957.00 | NIST | |
| I | 1957.00 | NIST | |
| I | 1957.00 | NIST | |
| I | 1959.00 | NIST | |
| I | 1954.00 | NIST | |
| I | 1952.00 | NIST | |
| I | 1947.00 | NIST | |
| I | 1954.00 | NIST | |
| I | 1952.00 | NIST | |
| I | 1952.00 | NIST | |
| I | 1959.00 | NIST | |
| I | 1940.00 | NIST | |
| I | 1957.00 | NIST | |
| I | 1957.00 | NIST | |
| I | 1943.00 | NIST | |
| I | Outlier 1889.00 | NIST | |
| I | Outlier 1889.00 | NIST | |
| I | 1918.00 | NIST | |
| I | Outlier 1889.00 | NIST | |
| I | Outlier 1889.00 | NIST | |
| I | 1901.00 | NIST | |
| I | 1936.00 | NIST | |
| I | 1929.00 | NIST | |
| I | 1935.00 | NIST | |
| I | 1906.00 | NIST | |
| I | 1909.00 | NIST | |
| I | 1906.00 | NIST | |
| I | 1909.00 | NIST | |
| I | 1906.00 | NIST | |
| I | 1909.00 | NIST | |
| I | 1906.00 | NIST | |
| I | 1909.00 | NIST | |
| I | 1950.00 | NIST | |
| I | 1920.00 | NIST | |
| I | 1920.00 | NIST | |
| I | 1958.00 | NIST | |
| I | 1958.00 | NIST | |
| I | 1957.00 | NIST | |
| I | 1958.00 | NIST | |
| I | 1958.00 | NIST | |
| I | 1955.00 | NIST | |
| I | 1956.00 | NIST | |
| I | 1950.00 | NIST | |
| I | 1957.00 | NIST | |
| I | 1942.00 | NIST | |
| I | 1921.00 | NIST | |
| I | 1924.00 | NIST | |
| I | 1922.00 | NIST | |
| I | 1958.00 | NIST | |
| I | 1933.00 | NIST | |
| I | 1930.00 | NIST | |
| I | 1958.00 | NIST | |
| I | 1950.00 | NIST | |
| I | 1958.00 | NIST | |
| I | 1958.00 | NIST | |
| I | 1958.00 | NIST | |
| I | 1913.00 | NIST | |
| I | 1958.00 | NIST | |
| I | 1958.00 | NIST | |
| I | 1933.00 | NIST | |
| I | 1958.00 | NIST | |
| I | 1958.00 | NIST | |
| I | 1957.00 | NIST | |
| I | 1920.00 | NIST | |
| I | 1920.00 | NIST | |
| I | 1958.00 | NIST | |
| I | 1958.00 | NIST | |
| I | 1958.00 | NIST | |
| I | 1958.00 | NIST | |
| I | 1958.00 | NIST | |
| I | 1958.00 | NIST | |
| I | 1958.00 | NIST | |
| I | 1958.00 | NIST | |
| I | 1958.00 | NIST | |
| I | 1957.00 | NIST | |
| I | 1944.00 | NIST | |
| I | 1942.00 | NIST | |
| I | 1936.00 | NIST | |
| I | 1952.00 | NIST | |
| I | 1936.00 | NIST | |
| I | 1919.00 | NIST | |
| I | 1918.00 | NIST | |
| I | 1909.00 | NIST | |
| I | 1922.00 | NIST | |
| I | 1924.00 | NIST | |
| I | 1920.00 | NIST |
Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, 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
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,liquid | 388.40 | J/mol×K | 313.60 | NIST |
| ΔvapH | 49.60 ± 1.10 | kJ/mol | 407.50 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 400.20 | K | 1.60 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [224.76; 603.47] | 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 | -9.49700e+01 | |||
| Coefficient B | 1.46988e+00 | |||
| Coefficient C | -1.21530e-03 | |||
| Coefficient D | 4.43860e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 224.76 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 292.59 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 350.70 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 400.51 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 443.41 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 480.81 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 514.11 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 544.72 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 574.04 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 603.47 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to trans-«beta»-Ionone.
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
- Joback Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
Take the time to validate and double check the source of the data.
Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.
These property values are available through the Cheméo API. A free account gives you an access key.