Chemical Properties of Cedrenol acetate (CAS 1405-92-1)

InChI

InChI=1S/C17H26O2/c1-10-6-7-15-16(4,5)13-8-17(10,15)9-14(11(13)2)19-12(3)18/h10,13-15H,2,6-9H2,1,3-5H3/t10-,13+,14?,15?,17-/m0/s1

InChI Key

UTZBRSREMTWJBB-OOOXPIDESA-N

Formula

C17H26O2

SMILES

C=C1C(OC(C)=O)CC23CC1C(C)(C)C2CCC3C

Molecular Weight¹

262.39

CAS

1405-92-1

Other Names

• [3R-(3«alpha»,3a«beta»,7«beta»,8a«alpha»)]-2,3,4,7,8,8a-hexahydro-3,8,8-trimethyl-1H-3a,7-methanoazulene-6-methyl acetate

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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.
• 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
ω	0.4407		Relay (1.0) Calculated Property
ΔfG°	35.36	kJ/mol	Joback Calculated Property
ΔfH°gas	-432.11	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	22.24	kJ/mol	Joback Calculated Property
ΔvapH°	82.67	kJ/mol	Relay (1.0) Calculated Property
IE	8.80	eV	Relay (1.0) Calculated Property
log10WS	-4.18		Relay (1.0) Calculated Property
logPoct/wat	3.957		Crippen Calculated Property
McVol	220.950	ml/mol	McGowan Calculated Property
Pc	1804.63	kPa	Joback Calculated Property
Inp	[1743.00; 1743.00]
Inp	1743.00		NIST
Inp	1743.00		NIST
Tboil	559.10	K	Relay (1.0) Calculated Property
Tc	818.15	K	Relay (1.0) Calculated Property
Tfus	339.53	K	Relay (1.0) Calculated Property
Vc	0.765	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[669.85; 792.19]	J/mol×K	[679.04; 899.33]
Cp,gas	669.85	J/mol×K	679.04	Joback Calculated Property
Cp,gas	691.60	J/mol×K	715.75	Joback Calculated Property
Cp,gas	712.47	J/mol×K	752.47	Joback Calculated Property
Cp,gas	732.71	J/mol×K	789.18	Joback Calculated Property
Cp,gas	752.57	J/mol×K	825.90	Joback Calculated Property
Cp,gas	772.32	J/mol×K	862.61	Joback Calculated Property
Cp,gas	792.19	J/mol×K	899.33	Joback Calculated Property

Similar Compounds

Find more compounds similar to Cedrenol acetate.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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