Chemical Properties of (1aR,4S,4aR,7R,7aS,7bS)-1,1,4,7-Tetramethyldecahydro-1H-cyclopropa[e]azulen-4-ol (CAS 88728-58-9)

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-IMNVLQEYSA-N

Formula

C15H26O

SMILES

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

Molecular Weight¹

222.37

CAS

88728-58-9

Other Names

• Epiglobulol

• 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	[1540.00; 1629.00]
Inp	1584.00		NIST
Inp	1597.00		NIST
Inp	1564.00		NIST
Inp	1554.00		NIST
Inp	Outlier 1543.00		NIST
Inp	Outlier 1540.00		NIST
Inp	1608.00		NIST
Inp	1590.00		NIST
Inp	1585.00		NIST
Inp	1580.00		NIST
Inp	1580.00		NIST
Inp	1585.00		NIST
Inp	1564.00		NIST
Inp	1564.00		NIST
Inp	1585.00		NIST
Inp	1582.00		NIST
Inp	1588.00		NIST
Inp	1580.00		NIST
Inp	1597.00		NIST
Inp	1582.00		NIST
Inp	1578.00		NIST
Inp	1587.00		NIST
Inp	1580.00		NIST
Inp	1608.00		NIST
Inp	1587.00		NIST
Inp	1588.00		NIST
Inp	1589.00		NIST
Inp	1588.00		NIST
Inp	1581.00		NIST
Inp	1587.00		NIST
Inp	1580.00		NIST
Inp	1548.00		NIST
Inp	1557.00		NIST
Inp	1596.00		NIST
Inp	1588.00		NIST
Inp	Outlier 1629.00		NIST
Inp	1576.00		NIST
Inp	1548.00		NIST
Inp	1585.00		NIST
Inp	1564.00		NIST
Inp	1597.00		NIST
Inp	1608.00		NIST
Inp	1581.00		NIST
Inp	1584.00		NIST
Inp	1590.00		NIST
I	[2011.00; 2054.00]
I	2049.00		NIST
I	2016.00		NIST
I	2054.00		NIST
I	2033.00		NIST
I	2023.00		NIST
I	2046.00		NIST
I	2025.00		NIST
I	2025.00		NIST
I	2011.00		NIST
I	2054.00		NIST
I	2049.00		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 (1aR,4S,4aR,7R,7aS,7bS)-1,1,4,7-Tetramethyldecahydro-1H-cyclopropa[e]azulen-4-ol.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.