Chemical Properties of 1-Triacontanol (CAS 593-50-0)

InChI

InChI=1S/C30H62O/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/h31H,2-30H2,1H3

InChI Key

REZQBEBOWJAQKS-UHFFFAOYSA-N

Formula

C30H62O

SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO

Molecular Weight¹

438.81

CAS

593-50-0

Other Names

• Melissyl alcohol
• Myricyl alcohol
• Triacontanol-1
• Triacontyl alcohol
• n-Triacontanol
• triacontan-1-ol

• 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).
• P_vap : Vapor 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	1.4821		Relay (1.0) Calculated Property
ΔfG°	64.90	kJ/mol	Joback Calculated Property
ΔfH°gas	-827.27	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	77.54	kJ/mol	Joback Calculated Property
ΔvapH°	180.12	kJ/mol	Relay (1.0) Calculated Property
IE	10.47	eV	Relay (1.0) Calculated Property
log10WS	-10.30		Relay (1.0) Calculated Property
logPoct/wat	10.921		Crippen Calculated Property
McVol	439.430	ml/mol	McGowan Calculated Property
Pc	623.13	kPa	Joback Calculated Property
Inp	[3306.00; 3306.00]
Inp	3306.00		NIST
Inp	3306.00		NIST
Tboil	674.28	K	Relay (1.0) Calculated Property
Tc	856.44	K	Relay (1.0) Calculated Property
Tfus	358.95	K	Relay (1.0) Calculated Property
Vc	1.742	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1570.53; 1717.04]	J/mol×K	[977.98; 1233.03]
Cp,gas	1570.53	J/mol×K	977.98	Joback Calculated Property
Cp,gas	1599.37	J/mol×K	1020.49	Joback Calculated Property
Cp,gas	1626.22	J/mol×K	1063.00	Joback Calculated Property
Cp,gas	1651.25	J/mol×K	1105.51	Joback Calculated Property
Cp,gas	1674.62	J/mol×K	1148.01	Joback Calculated Property
Cp,gas	1696.50	J/mol×K	1190.52	Joback Calculated Property
Cp,gas	1717.04	J/mol×K	1233.03	Joback Calculated Property
η	[0.0000030; 0.0004393]	Pa×s	[488.68; 977.98]
η	0.0004393	Pa×s	488.68	Joback Calculated Property
η	0.0001061	Pa×s	570.23	Joback Calculated Property
η	0.0000366	Pa×s	651.78	Joback Calculated Property
η	0.0000160	Pa×s	733.33	Joback Calculated Property
η	0.0000082	Pa×s	814.88	Joback Calculated Property
η	0.0000048	Pa×s	896.43	Joback Calculated Property
η	0.0000030	Pa×s	977.98	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[579.80; 795.42]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.53922e+01
Coefficient B			-6.53503e+03
Coefficient C			-1.47148e+02
Temperature range, min.			579.80
Temperature range, max.			795.42
Pvap	1.33	kPa	579.80	Calculated Property
Pvap	2.95	kPa	603.76	Calculated Property
Pvap	6.01	kPa	627.72	Calculated Property
Pvap	11.47	kPa	651.67	Calculated Property
Pvap	20.63	kPa	675.63	Calculated Property
Pvap	35.26	kPa	699.59	Calculated Property
Pvap	57.66	kPa	723.55	Calculated Property
Pvap	90.64	kPa	747.50	Calculated Property
Pvap	137.64	kPa	771.46	Calculated Property
Pvap	202.65	kPa	795.42	Calculated Property

Similar Compounds

Find more compounds similar to 1-Triacontanol.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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