Chemical Properties of occidenol (CAS 27548-56-7)

InChI

InChI=1S/C15H24O2/c1-11-10-17-8-7-15(4)6-5-12(9-13(11)15)14(2,3)16/h7-8,10,12-13,16H,5-6,9H2,1-4H3

InChI Key

MHBHVBZBPFDCSL-UHFFFAOYSA-N

Formula

C15H24O2

SMILES

CC1=COC=CC2(C)CCC(C(C)(C)O)CC12

Molecular Weight¹

236.35

CAS

27548-56-7

• 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°	-46.59	kJ/mol	Joback Calculated Property
ΔfH°gas	-432.12	kJ/mol	Joback Calculated Property
ΔfusH°	21.86	kJ/mol	Joback Calculated Property
ΔvapH°	69.35	kJ/mol	Joback Calculated Property
log10WS	-4.33		Crippen Calculated Property
logPoct/wat	3.628		Crippen Calculated Property
McVol	203.630	ml/mol	McGowan Calculated Property
Pc	2263.26	kPa	Joback Calculated Property
Inp	[1669.00; 1674.00]
Inp	1669.00		NIST
Inp	1674.00		NIST
Inp	1669.00		NIST
Inp	1674.00		NIST
I	[2328.00; 2328.00]
I	2328.00		NIST
I	2328.00		NIST
Tboil	692.20	K	Joback Calculated Property
Tc	910.60	K	Joback Calculated Property
Tfus	400.60	K	Joback Calculated Property
Vc	0.748	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[611.40; 712.58]	J/mol×K	[692.20; 910.60]
Cp,gas	611.40	J/mol×K	692.20	Joback Calculated Property
Cp,gas	630.31	J/mol×K	728.60	Joback Calculated Property
Cp,gas	648.19	J/mol×K	765.00	Joback Calculated Property
Cp,gas	665.20	J/mol×K	801.40	Joback Calculated Property
Cp,gas	681.50	J/mol×K	837.80	Joback Calculated Property
Cp,gas	697.24	J/mol×K	874.20	Joback Calculated Property
Cp,gas	712.58	J/mol×K	910.60	Joback Calculated Property

Similar Compounds

Find more compounds similar to occidenol.

Sources

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

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