Chemical Properties of Lyral (CAS 31906-04-4)

InChI

InChI=1S/C13H22O2/c1-13(2,15)9-3-4-11-5-7-12(10-14)8-6-11/h5,10,12,15H,3-4,6-9H2,1-2H3

InChI Key

ORMHZBNNECIKOH-UHFFFAOYSA-N

Formula

C13H22O2

SMILES

CC(C)(O)CCCC1=CCC(C=O)CC1

Molecular Weight¹

210.31

CAS

31906-04-4

Other Names

• 4-(4-hydroxy-4-methylpentyl)cyclohex-3-enecarbaldehyde

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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°	-130.14	kJ/mol	Joback Calculated Property
ΔfH°gas	-457.58	kJ/mol	Joback Calculated Property
ΔfusH°	21.06	kJ/mol	Joback Calculated Property
ΔvapH°	68.02	kJ/mol	Joback Calculated Property
log10WS	-3.43		Crippen Calculated Property
logPoct/wat	2.853		Crippen Calculated Property
McVol	186.310	ml/mol	McGowan Calculated Property
Pc	2367.97	kPa	Joback Calculated Property
Inp	[1661.00; 1692.00]
Inp	Outlier 1661.00		NIST
Inp	1687.00		NIST
Inp	1686.00		NIST
Inp	1686.00		NIST
Inp	1688.00		NIST
Inp	1690.00		NIST
Inp	1692.00		NIST
Inp	1671.00		NIST
Tboil	658.14	K	Joback Calculated Property
Tc	853.70	K	Joback Calculated Property
Tfus	362.17	K	Joback Calculated Property
Vc	0.708	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[527.16; 608.32]	J/mol×K	[658.14; 853.70]
Cp,gas	527.16	J/mol×K	658.14	Joback Calculated Property
Cp,gas	542.88	J/mol×K	690.73	Joback Calculated Property
Cp,gas	557.66	J/mol×K	723.33	Joback Calculated Property
Cp,gas	571.55	J/mol×K	755.92	Joback Calculated Property
Cp,gas	584.60	J/mol×K	788.51	Joback Calculated Property
Cp,gas	596.84	J/mol×K	821.11	Joback Calculated Property
Cp,gas	608.32	J/mol×K	853.70	Joback Calculated Property
η	[0.0000603; 0.0057066]	Pa×s	[362.17; 658.14]
η	0.0057066	Pa×s	362.17	Joback Calculated Property
η	0.0016967	Pa×s	411.50	Joback Calculated Property
η	0.0006541	Pa×s	460.83	Joback Calculated Property
η	0.0003032	Pa×s	510.15	Joback Calculated Property
η	0.0001609	Pa×s	559.48	Joback Calculated Property
η	0.0000947	Pa×s	608.81	Joback Calculated Property
η	0.0000603	Pa×s	658.14	Joback Calculated Property

Similar Compounds

Find more compounds similar to Lyral.

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.