Chemical Properties of 4aH-Cycloprop[e]azulen-4a-ol, decahydro-1,1,4,7-tetramethyl-, [1aR-(1a«alpha»,4«beta»,4a«beta»,7«alpha»,7a«beta»,7b«alpha»)]- (CAS 5986-49-2)

InChI

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

InChI Key

QWRTXOOFEHOROQ-UHFFFAOYSA-N

Formula

C15H26O

SMILES

CC1CCC2(O)C(C)CCC3C(C12)C3(C)C

Molecular Weight¹

222.37

CAS

5986-49-2

Other Names

• (1aR,4S,4aS,7R,7aS,7bR)-1,1,4,7-Tetramethyldecahydro-1H-cyclopropa[e]azulen-4a-ol
• 4aH-Cycloprop[e]azulen-4a-ol, decahydro-1,1,4,7-tetramethyl-, (1aR,4S,4aS,7R,7aS,7bR)-
• Palustrol
• Palustrol (Ledum)
• 4aH-Cycloprop[e]azulen-4a-ol, decahydro-1,1,4,7-tetramethyl-
• Diepi-palustrol

• 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	[1548.00; 1581.00]
Inp	1567.00		NIST
Inp	1556.00		NIST
Inp	1562.00		NIST
Inp	1571.00		NIST
Inp	1562.00		NIST
Inp	1563.00		NIST
Inp	1548.00		NIST
Inp	1564.00		NIST
Inp	1567.00		NIST
Inp	1570.00		NIST
Inp	1563.00		NIST
Inp	1569.00		NIST
Inp	1571.00		NIST
Inp	1550.00		NIST
Inp	1566.00		NIST
Inp	1555.00		NIST
Inp	1561.00		NIST
Inp	1568.00		NIST
Inp	1579.00		NIST
Inp	1565.00		NIST
Inp	1550.00		NIST
Inp	1550.00		NIST
Inp	1565.00		NIST
Inp	1557.00		NIST
Inp	1555.00		NIST
Inp	1568.00		NIST
Inp	Outlier 1581.00		NIST
Inp	1567.00		NIST
Inp	1561.00		NIST
Inp	1567.00		NIST
I	[1885.00; 1980.00]
I	1931.00		NIST
I	1938.00		NIST
I	1938.00		NIST
I	Outlier 1980.00		NIST
I	1914.00		NIST
I	1933.00		NIST
I	1910.00		NIST
I	1914.00		NIST
I	1915.00		NIST
I	Outlier 1885.00		NIST
I	1934.00		NIST
I	1934.00		NIST
I	1934.00		NIST
I	1934.00		NIST
I	1934.00		NIST
I	1936.00		NIST
I	1934.00		NIST
I	1934.00		NIST
I	1934.00		NIST
I	1934.00		NIST
I	1934.00		NIST
I	1931.00		NIST
I	1903.00		NIST
I	1915.00		NIST
I	1928.00		NIST
I	1953.00		NIST
I	1938.00		NIST
I	1938.00		NIST
I	1938.00		NIST
I	1938.00		NIST
I	1938.00		NIST
I	1938.00		NIST
I	1938.00		NIST
I	1938.00		NIST
I	1934.00		NIST
I	1931.00		NIST
I	Outlier 1980.00		NIST
I	1956.00		NIST
I	1953.00		NIST
I	1931.00		NIST
I	1953.00		NIST
I	1953.00		NIST
I	1953.00		NIST
I	1953.00		NIST
I	1932.00		NIST
I	1956.00		NIST
I	1953.00		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 4aH-Cycloprop[e]azulen-4a-ol, decahydro-1,1,4,7-tetramethyl-, [1aR-(1a«alpha»,4«beta»,4a«beta»,7«alpha»,7a«beta»,7b«alpha»)]-.

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.