Chemical Properties of 18-Pentatriacontanone (CAS 504-53-0)

InChI

InChI=1S/C35H70O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35(36)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-34H2,1-2H3

InChI Key

DMCJFWXGXUEHFD-UHFFFAOYSA-N

Formula

C35H70O

SMILES

CCCCCCCCCCCCCCCCCC(=O)CCCCCCCCCCCCCCCCC

Molecular Weight¹

506.93

CAS

504-53-0

Other Names

• Di-n-heptadecyl ketone
• Di-stearyl ketone
• Diheptadecyl ketone
• Heptadecyl ketone
• Stearone
• Stearyl ketone
• pentatriacontan-18-one

• 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).
• P_vap : Vapor pressure (kPa).
• 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°	114.90	kJ/mol	Joback Calculated Property
ΔfH°gas	-878.31	kJ/mol	Joback Calculated Property
ΔfusH°	88.00	kJ/mol	Joback Calculated Property
ΔvapH°	100.25	kJ/mol	Joback Calculated Property
log10WS	-13.75		Crippen Calculated Property
logPoct/wat	13.079		Crippen Calculated Property
McVol	505.580	ml/mol	McGowan Calculated Property
Pc	490.55	kPa	Joback Calculated Property
Tboil	1054.07	K	Joback Calculated Property
Tc	1349.17	K	Joback Calculated Property
Tfus	[362.00; 362.00]	K
Tfus	362.00 ± 1.00	K	NIST
Tfus	362.00 ± 1.50	K	NIST
Vc	2.002	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1853.58; 2016.56]	J/mol×K	[1054.07; 1349.17]
Cp,gas	1853.58	J/mol×K	1054.07	Joback Calculated Property
Cp,gas	1886.45	J/mol×K	1103.25	Joback Calculated Property
Cp,gas	1916.66	J/mol×K	1152.44	Joback Calculated Property
Cp,gas	1944.50	J/mol×K	1201.62	Joback Calculated Property
Cp,gas	1970.24	J/mol×K	1250.80	Joback Calculated Property
Cp,gas	1994.17	J/mol×K	1299.99	Joback Calculated Property
Cp,gas	2016.56	J/mol×K	1349.17	Joback Calculated Property
η	[0.0000104; 0.0003643]	Pa×s	[534.14; 1054.07]
η	0.0003643	Pa×s	534.14	Joback Calculated Property
η	0.0001331	Pa×s	620.79	Joback Calculated Property
η	0.0000622	Pa×s	707.45	Joback Calculated Property
η	0.0000344	Pa×s	794.11	Joback Calculated Property
η	0.0000213	Pa×s	880.76	Joback Calculated Property
η	0.0000144	Pa×s	967.41	Joback Calculated Property
η	0.0000104	Pa×s	1054.07	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[665.72; 820.54]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			2.10683e+01
Coefficient B			-1.00908e+04
Coefficient C			-1.80133e+02
Temperature range, min.			665.72
Temperature range, max.			820.54
Pvap	1.33	kPa	665.72	Calculated Property
Pvap	2.71	kPa	682.92	Calculated Property
Pvap	5.27	kPa	700.12	Calculated Property
Pvap	9.82	kPa	717.33	Calculated Property
Pvap	17.58	kPa	734.53	Calculated Property
Pvap	30.40	kPa	751.73	Calculated Property
Pvap	50.92	kPa	768.93	Calculated Property
Pvap	82.83	kPa	786.14	Calculated Property
Pvap	131.16	kPa	803.34	Calculated Property
Pvap	202.63	kPa	820.54	Calculated Property

Similar Compounds

Find more compounds similar to 18-Pentatriacontanone.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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