Chemical Properties of trans-Chrysanthemal (CAS 20104-05-6)

InChI

InChI=1S/C10H16O/c1-7(2)5-8-9(6-11)10(8,3)4/h5-6,8-9H,1-4H3/t8-,9-/m0/s1

InChI Key

NQLKPDBZZUIQGM-IUCAKERBSA-N

Formula

C10H16O

SMILES

CC(C)=CC1C(C=O)C1(C)C

Molecular Weight¹

152.23

CAS

20104-05-6

• 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.
• 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°	45.31	kJ/mol	Joback Calculated Property
ΔfH°gas	-180.52	kJ/mol	Joback Calculated Property
ΔfusH°	16.82	kJ/mol	Joback Calculated Property
ΔvapH°	42.76	kJ/mol	Joback Calculated Property
log10WS	-2.31		Crippen Calculated Property
logPoct/wat	2.424		Crippen Calculated Property
McVol	138.170	ml/mol	McGowan Calculated Property
Pc	2662.52	kPa	Joback Calculated Property
Inp	[1124.00; 1153.00]
Inp	1153.00		NIST
Inp	1124.00		NIST
Inp	1153.00		NIST
Inp	1124.00		NIST
Tboil	478.54	K	Joback Calculated Property
Tc	679.18	K	Joback Calculated Property
Tfus	258.78	K	Joback Calculated Property
Vc	0.546	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[313.37; 394.51]	J/mol×K	[478.54; 679.18]
Cp,gas	313.37	J/mol×K	478.54	Joback Calculated Property
Cp,gas	329.20	J/mol×K	511.98	Joback Calculated Property
Cp,gas	343.97	J/mol×K	545.42	Joback Calculated Property
Cp,gas	357.77	J/mol×K	578.86	Joback Calculated Property
Cp,gas	370.71	J/mol×K	612.30	Joback Calculated Property
Cp,gas	382.92	J/mol×K	645.74	Joback Calculated Property
Cp,gas	394.51	J/mol×K	679.18	Joback Calculated Property

Similar Compounds

Find more compounds similar to trans-Chrysanthemal.

Sources

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

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