Chemical Properties of Ledol (CAS 577-27-5)

InChI

InChI=1S/C15H26O/c1-9-5-6-10-12(9)13-11(14(13,2)3)7-8-15(10,4)16/h9-13,16H,5-8H2,1-4H3/t9-,10?,11?,12?,13?,15-/m1/s1

InChI Key

AYXPYQRXGNDJFU-XJMMWPIVSA-N

Formula

C15H26O

SMILES

CC1CCC2C1C1C(CCC2(C)O)C1(C)C

Molecular Weight¹

222.37

CAS

577-27-5

Other Names

• 1H-Cycloprop[e]azulen-4-ol, decahydro-1,1,4,7-tetramethyl-, [1ar-(1a«alpha»,4«alpha»,4a«beta»,7«alpha»,7a«beta»,7b«alpha»)]-
• 1H-Cycloprop[e]azulen-4-ol, decahydro-1,1,4,7-tetramethyl-, (1ar,4R,4as,7R,7as,7bs)-
• (+)-Ledol
• d-Ledol
• 1H-Cycloprop[e]azulen-4-ol, decahydro-1,1,4,7-tetramethyl-, [1ar-(1a«alpha»,4«alpha»,4a«beta»,7«beta»,7a«beta»,7b«alpha»)]-
• (1aS,4S,4aR,7S,7aR,7bR)-1,1,4,7-Tetramethyldecahydro-1H-cyclopropa[e]azulen-4-ol

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• I_p : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	20.59	kJ/mol	Joback Calculated Property
logPoct/wat	3.466		Crippen Calculated Property
McVol	195.500	ml/mol	McGowan Calculated Property
Inp	[1539.00; 1616.00]
Inp	1599.00		NIST
Inp	1599.00		NIST
Inp	1573.00		NIST
Inp	1565.00		NIST
Inp	1560.00		NIST
Inp	1569.00		NIST
Inp	1565.00		NIST
Inp	1542.00		NIST
Inp	1546.00		NIST
Inp	1605.00		NIST
Inp	1551.00		NIST
Inp	1561.00		NIST
Inp	1551.00		NIST
Inp	1586.00		NIST
Inp	1551.00		NIST
Inp	1584.00		NIST
Inp	1563.00		NIST
Inp	1580.00		NIST
Inp	1549.00		NIST
Inp	1564.00		NIST
Inp	1549.00		NIST
Inp	1597.00		NIST
Inp	1565.00		NIST
Inp	1561.00		NIST
Inp	1564.00		NIST
Inp	1567.00		NIST
Inp	1547.00		NIST
Inp	1582.00		NIST
Inp	1562.00		NIST
Inp	1569.00		NIST
Inp	1551.00		NIST
Inp	1588.00		NIST
Inp	1566.00		NIST
Inp	1600.00		NIST
Inp	1597.00		NIST
Inp	1586.00		NIST
Inp	1586.00		NIST
Inp	1569.00		NIST
Inp	1565.00		NIST
Inp	1565.00		NIST
Inp	1564.00		NIST
Inp	1585.00		NIST
Inp	1598.00		NIST
Inp	1587.00		NIST
Inp	1591.00		NIST
Inp	1608.00		NIST
Inp	1570.00		NIST
Inp	1593.00		NIST
Inp	1571.00		NIST
Inp	1565.00		NIST
Inp	Outlier 1616.00		NIST
Inp	1562.00		NIST
Inp	1607.00		NIST
Inp	1574.00		NIST
Inp	1567.00		NIST
Inp	1552.00		NIST
Inp	1569.00		NIST
Inp	1593.00		NIST
Inp	1600.00		NIST
Inp	1574.00		NIST
Inp	1565.00		NIST
Inp	1563.00		NIST
Inp	1588.00		NIST
Inp	1560.00		NIST
Inp	1563.00		NIST
Inp	1560.00		NIST
Inp	1564.00		NIST
Inp	1601.00		NIST
Inp	1554.00		NIST
Inp	Outlier 1539.00		NIST
Inp	1582.00		NIST
Inp	1559.00		NIST
Inp	1561.00		NIST
Inp	1568.00		NIST
Inp	1600.00		NIST
Inp	1563.00		NIST
Inp	1593.00		NIST
Inp	1560.00		NIST
Inp	1569.00		NIST
Inp	1586.00		NIST
Inp	1604.00		NIST
Inp	1605.00		NIST
Inp	1555.00		NIST
Inp	1598.00		NIST
Inp	1570.00		NIST
Inp	1565.00		NIST
Inp	1562.00		NIST
Inp	1562.00		NIST
Inp	1562.00		NIST
Inp	1547.00		NIST
Inp	1559.00		NIST
Inp	1601.00		NIST
Inp	1554.00		NIST
Inp	1560.00		NIST
Inp	1565.00		NIST
Inp	1600.00		NIST
Inp	1600.00		NIST
Inp	1598.00		NIST
Inp	1565.00		NIST
Inp	1565.00		NIST
Inp	1550.00		NIST
Inp	1540.00		NIST
Inp	1592.00		NIST
Inp	1561.00		NIST
Inp	1567.00		NIST
Inp	1565.00		NIST
Inp	1565.00		NIST
Inp	1566.00		NIST
Inp	1550.00		NIST
Inp	Outlier 1539.00		NIST
Inp	1562.00		NIST
Inp	1601.00		NIST
Inp	1597.00		NIST
Inp	1560.00		NIST
Inp	1585.00		NIST
Inp	1575.00		NIST
Inp	1575.00		NIST
Inp	1575.00		NIST
Inp	1580.00		NIST
Inp	1568.00		NIST
Inp	1595.00		NIST
Inp	1585.00		NIST
Inp	1596.00		NIST
Inp	1594.00		NIST
Inp	1590.00		NIST
Inp	1604.00		NIST
Inp	1608.00		NIST
Inp	1565.00		NIST
Inp	1551.00		NIST
Inp	1572.00		NIST
Inp	1565.00		NIST
Inp	1565.00		NIST
Inp	1595.00		NIST
Inp	1565.00		NIST
Inp	1580.00		NIST
Inp	1580.00		NIST
Inp	1580.00		NIST
Inp	1569.00		NIST
Inp	1565.00		NIST
Inp	1587.00		NIST
Inp	1588.00		NIST
Inp	1579.00		NIST
Inp	1580.00		NIST
Inp	1565.00		NIST
Inp	1582.00		NIST
Inp	1565.00		NIST
Inp	1583.00		NIST
Inp	1551.00		NIST
Inp	1580.00		NIST
Inp	1593.00		NIST
Inp	1581.00		NIST
Inp	1590.00		NIST
Inp	1570.00		NIST
Inp	1597.00		NIST
Inp	1547.00		NIST
Inp	1588.00		NIST
Inp	1586.00		NIST
Inp	1585.00		NIST
Inp	1580.00		NIST
Ip	[1997.00; 2064.00]
Ip	2043.00		NIST
Ip	2035.00		NIST
Ip	2024.00		NIST
Ip	Outlier 1997.00		NIST
Ip	2035.00		NIST
Ip	2016.00		NIST
Ip	2062.00		NIST
Ip	2014.00		NIST
Ip	2032.00		NIST
Ip	2062.00		NIST
Ip	2021.00		NIST
Ip	2026.00		NIST
Ip	2060.00		NIST
Ip	2030.00		NIST
Ip	2030.00		NIST
Ip	2030.00		NIST
Ip	Outlier 1997.00		NIST
Ip	2007.00		NIST
Ip	2064.00		NIST
Ip	2025.00		NIST
Ip	2024.00		NIST
Ip	2060.00		NIST
Ip	2030.00		NIST
Ip	2021.00		NIST
Ip	2022.00		NIST
Ip	2028.00		NIST
Ip	2028.00		NIST
Ip	2025.00		NIST
Ip	2057.00		NIST
Ip	2026.00		NIST
Ip	2028.00		NIST
Ip	2060.00		NIST
Ip	2057.00		NIST
Ip	2060.00		NIST
Ip	2057.00		NIST
Ip	2057.00		NIST
Ip	2057.00		NIST
Ip	2057.00		NIST
Ip	2057.00		NIST
Ip	2057.00		NIST
Ip	2057.00		NIST
Ip	2057.00		NIST
Ip	2057.00		NIST
Ip	2057.00		NIST
Ip	2057.00		NIST
Ip	2057.00		NIST
Ip	2057.00		NIST
Ip	2026.00		NIST
Ip	2051.00		NIST
Ip	2044.00		NIST
Ip	2028.00		NIST
Ip	2030.00		NIST
Ip	2024.00		NIST
Ip	2028.00		NIST
Ip	2043.00		NIST
Tboil	546.35	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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, 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[257.28; 795.93]	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			-2.42650e+02
Coefficient B			2.37418e+00
Coefficient C			-2.23400e-03
Coefficient D			8.98400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	257.28	J/mol×K	273.00	Calculated Property
Cp,gas	357.46	J/mol×K	353.78	Calculated Property
Cp,gas	440.92	J/mol×K	434.56	Calculated Property
Cp,gas	510.52	J/mol×K	515.33	Calculated Property
Cp,gas	569.08	J/mol×K	596.11	Calculated Property
Cp,gas	619.46	J/mol×K	676.89	Calculated Property
Cp,gas	664.49	J/mol×K	757.67	Calculated Property
Cp,gas	707.02	J/mol×K	838.44	Calculated Property
Cp,gas	749.89	J/mol×K	919.22	Calculated Property
Cp,gas	795.93	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Ledol.

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.
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