Chemical Properties of Cryptomeridiol (CAS 4666-84-6)

InChI

InChI=1S/C15H28O2/c1-13(2,16)11-6-9-14(3)7-5-8-15(4,17)12(14)10-11/h11-12,16-17H,5-10H2,1-4H3/t11-,12?,14-,15-/m0/s1

InChI Key

LKKDASYGWYYFIK-WOOSNZAASA-N

Formula

C15H28O2

SMILES

CC(C)(O)C1CCC2(C)CCCC(C)(O)C2C1

Molecular Weight¹

240.38

CAS

4666-84-6

• 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°	-148.68	kJ/mol	Joback Calculated Property
ΔfH°gas	-555.38	kJ/mol	Joback Calculated Property
ΔfusH°	12.78	kJ/mol	Joback Calculated Property
ΔvapH°	78.64	kJ/mol	Joback Calculated Property
log10WS	-3.92		Crippen Calculated Property
logPoct/wat	3.115		Crippen Calculated Property
McVol	212.230	ml/mol	McGowan Calculated Property
Pc	2331.52	kPa	Joback Calculated Property
Inp	[1780.00; 1831.00]
Inp	1822.10		NIST
Inp	1826.00		NIST
Inp	1780.00		NIST
Inp	1831.00		NIST
I	2608.00		NIST
Tboil	745.43	K	Joback Calculated Property
Tc	949.62	K	Joback Calculated Property
Tfus	443.99	K	Joback Calculated Property
Vc	0.778	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[689.98; 798.19]	J/mol×K	[745.43; 949.62]
Cp,gas	689.98	J/mol×K	745.43	Joback Calculated Property
Cp,gas	708.38	J/mol×K	779.46	Joback Calculated Property
Cp,gas	726.35	J/mol×K	813.49	Joback Calculated Property
Cp,gas	744.12	J/mol×K	847.52	Joback Calculated Property
Cp,gas	761.87	J/mol×K	881.55	Joback Calculated Property
Cp,gas	779.83	J/mol×K	915.59	Joback Calculated Property
Cp,gas	798.19	J/mol×K	949.62	Joback Calculated Property

Similar Compounds

Find more compounds similar to Cryptomeridiol.

Sources

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

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