Chemical Properties of Triacontanal (CAS 22725-63-9)

InChI

InChI=1S/C30H60O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31/h30H,2-29H2,1H3

InChI Key

CGNVIRPGBUXJES-UHFFFAOYSA-N

Formula

C30H60O

SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC=O

Molecular Weight¹

436.80

CAS

22725-63-9

• ω : Acentric Factor.
• 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).
• 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	1.2865		Relay (1.0) Calculated Property
ΔfG°	102.20	kJ/mol	Joback Calculated Property
ΔfH°gas	-767.80	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	75.75	kJ/mol	Joback Calculated Property
ΔvapH°	158.96	kJ/mol	Relay (1.0) Calculated Property
IE	10.20	eV	Relay (1.0) Calculated Property
log10WS	-10.27		Relay (1.0) Calculated Property
logPoct/wat	11.128		Crippen Calculated Property
McVol	435.130	ml/mol	McGowan Calculated Property
Pc	617.57	kPa	Joback Calculated Property
Inp	[3251.20; 3251.20]
Inp	3251.20		NIST
Inp	3251.20		NIST
Tboil	661.70	K	Relay (1.0) Calculated Property
Tc	855.10	K	Relay (1.0) Calculated Property
Tfus	347.71	K	Relay (1.0) Calculated Property
Vc	1.722	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[646.81; 1557.84]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-1.29820e+01
Coefficient B			2.82832e+00
Coefficient C			-1.60120e-03
Coefficient D			3.43700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	646.81	J/mol×K	273.00	Calculated Property
Cp,gas	802.43	J/mol×K	353.78	Calculated Property
Cp,gas	941.92	J/mol×K	434.56	Calculated Property
Cp,gas	1066.35	J/mol×K	515.33	Calculated Property
Cp,gas	1176.83	J/mol×K	596.11	Calculated Property
Cp,gas	1274.43	J/mol×K	676.89	Calculated Property
Cp,gas	1360.25	J/mol×K	757.67	Calculated Property
Cp,gas	1435.36	J/mol×K	838.44	Calculated Property
Cp,gas	1500.86	J/mol×K	919.22	Calculated Property
Cp,gas	1557.84	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0008728; 0.0000444]	Pa×s	[469.86; 810.67]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.41265e+01
Coefficient B			3.32787e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			469.86
Temperature range, max.			810.67
η	0.0008728	Pa×s	469.86	Calculated Property
η	0.0005146	Pa×s	507.73	Calculated Property
η	0.0003265	Pa×s	545.60	Calculated Property
η	0.0002198	Pa×s	583.46	Calculated Property
η	0.0001553	Pa×s	621.33	Calculated Property
η	0.0001141	Pa×s	659.20	Calculated Property
η	0.0000868	Pa×s	697.07	Calculated Property
η	0.0000678	Pa×s	734.93	Calculated Property
η	0.0000543	Pa×s	772.80	Calculated Property
η	0.0000444	Pa×s	810.67	Calculated Property

Similar Compounds

Find more compounds similar to Triacontanal.

Sources

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

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