Chemical Properties of Thuj-3-en-10-al

InChI

InChI=1S/C10H14O/c1-7(2)10-4-3-8(6-11)9(10)5-10/h3-4,6-9H,5H2,1-2H3

InChI Key

UQLNHDYBGCTZNJ-UHFFFAOYSA-N

Formula

C10H14O

SMILES

CC(C)C12C=CC(C=O)C1C2

Molecular Weight¹

150.22

• 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°	69.62	kJ/mol	Joback Calculated Property
ΔfH°gas	-142.31	kJ/mol	Joback Calculated Property
ΔfusH°	12.69	kJ/mol	Joback Calculated Property
ΔvapH°	42.84	kJ/mol	Joback Calculated Property
log10WS	-1.96		Crippen Calculated Property
logPoct/wat	2.034		Crippen Calculated Property
McVol	127.310	ml/mol	McGowan Calculated Property
Pc	3127.99	kPa	Joback Calculated Property
Inp	[1159.00; 1188.00]
Inp	1181.00		NIST
Inp	1181.00		NIST
Inp	1181.00		NIST
Inp	1184.00		NIST
Inp	1174.00		NIST
Inp	1188.00		NIST
Inp	1159.00		NIST
Inp	1181.00		NIST
Inp	1175.00		NIST
Inp	1184.00		NIST
Inp	1160.00		NIST
Inp	1171.00		NIST
Inp	1163.00		NIST
Inp	1171.00		NIST
Inp	1184.00		NIST
Inp	1174.00		NIST
Inp	1181.00		NIST
I	[1641.00; 1642.00]
I	1642.00		NIST
I	1642.00		NIST
I	1642.00		NIST
I	1642.00		NIST
I	1641.00		NIST
I	1641.00		NIST
I	1641.00		NIST
Tboil	484.63	K	Joback Calculated Property
Tc	694.53	K	Joback Calculated Property
Tfus	285.76	K	Joback Calculated Property
Vc	0.503	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[299.22; 378.65]	J/mol×K	[484.63; 694.53]
Cp,gas	299.22	J/mol×K	484.63	Joback Calculated Property
Cp,gas	315.15	J/mol×K	519.61	Joback Calculated Property
Cp,gas	329.80	J/mol×K	554.60	Joback Calculated Property
Cp,gas	343.33	J/mol×K	589.58	Joback Calculated Property
Cp,gas	355.89	J/mol×K	624.56	Joback Calculated Property
Cp,gas	367.61	J/mol×K	659.55	Joback Calculated Property
Cp,gas	378.65	J/mol×K	694.53	Joback Calculated Property

Similar Compounds

Find more compounds similar to Thuj-3-en-10-al.

Sources

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

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