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_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	54.83	kJ/mol	Joback Calculated Property
ΔfH°gas	-349.96	kJ/mol	Joback Calculated Property
ΔfusH°	20.59	kJ/mol	Joback Calculated Property
ΔvapH°	62.21	kJ/mol	Joback Calculated Property
log10WS	-3.71		Crippen Calculated Property
logPoct/wat	3.466		Crippen Calculated Property
McVol	195.500	ml/mol	McGowan Calculated Property
Pc	2127.56	kPa	Joback 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	1597.00		NIST
Inp	1547.00		NIST
Inp	1588.00		NIST
Inp	1586.00		NIST
Inp	1585.00		NIST
Inp	1580.00		NIST
Inp	1570.00		NIST
I	[1997.00; 2064.00]
I	2043.00		NIST
I	2035.00		NIST
I	2024.00		NIST
I	Outlier 1997.00		NIST
I	2035.00		NIST
I	2016.00		NIST
I	2062.00		NIST
I	2014.00		NIST
I	2032.00		NIST
I	2062.00		NIST
I	2021.00		NIST
I	2026.00		NIST
I	2060.00		NIST
I	2030.00		NIST
I	2030.00		NIST
I	2030.00		NIST
I	Outlier 1997.00		NIST
I	2007.00		NIST
I	2064.00		NIST
I	2025.00		NIST
I	2024.00		NIST
I	2060.00		NIST
I	2030.00		NIST
I	2021.00		NIST
I	2022.00		NIST
I	2028.00		NIST
I	2028.00		NIST
I	2025.00		NIST
I	2057.00		NIST
I	2026.00		NIST
I	2028.00		NIST
I	2060.00		NIST
I	2057.00		NIST
I	2060.00		NIST
I	2057.00		NIST
I	2057.00		NIST
I	2057.00		NIST
I	2057.00		NIST
I	2057.00		NIST
I	2057.00		NIST
I	2057.00		NIST
I	2057.00		NIST
I	2057.00		NIST
I	2057.00		NIST
I	2057.00		NIST
I	2057.00		NIST
I	2057.00		NIST
I	2026.00		NIST
I	2051.00		NIST
I	2044.00		NIST
I	2028.00		NIST
I	2043.00		NIST
I	2030.00		NIST
I	2024.00		NIST
I	2028.00		NIST
Tboil	645.34	K	Joback Calculated Property
Tc	851.43	K	Joback Calculated Property
Tfus	397.25	K	Joback Calculated Property
Vc	0.742	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[600.58; 713.82]	J/mol×K	[645.34; 851.43]
Cp,gas	600.58	J/mol×K	645.34	Joback Calculated Property
Cp,gas	621.09	J/mol×K	679.69	Joback Calculated Property
Cp,gas	640.66	J/mol×K	714.04	Joback Calculated Property
Cp,gas	659.50	J/mol×K	748.38	Joback Calculated Property
Cp,gas	677.83	J/mol×K	782.73	Joback Calculated Property
Cp,gas	695.86	J/mol×K	817.08	Joback Calculated Property
Cp,gas	713.82	J/mol×K	851.43	Joback Calculated Property

Similar Compounds

Find more compounds similar to Ledol.

Sources

• 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.