Chemical Properties of 3-Pentadecanone (CAS 18787-66-1)

InChI

InChI=1S/C15H30O/c1-3-5-6-7-8-9-10-11-12-13-14-15(16)4-2/h3-14H2,1-2H3

InChI Key

YELXTWKVTZTDCM-UHFFFAOYSA-N

Formula

C15H30O

SMILES

CCCCCCCCCCCCC(=O)CC

Molecular Weight¹

226.40

CAS

18787-66-1

• 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).
• 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°	-53.50	kJ/mol	Joback Calculated Property
ΔfH°gas	-465.51	kJ/mol	Joback Calculated Property
ΔfusH°	36.20	kJ/mol	Joback Calculated Property
ΔvapH°	55.73	kJ/mol	Joback Calculated Property
log10WS	-5.38		Crippen Calculated Property
logPoct/wat	5.277		Crippen Calculated Property
McVol	223.780	ml/mol	McGowan Calculated Property
Pc	1485.00	kPa	Joback Calculated Property
Inp	[1668.00; 1675.00]
Inp	1675.00		NIST
Inp	1668.00		NIST
I	1955.00		NIST
Tboil	596.47	K	Joback Calculated Property
Tc	763.83	K	Joback Calculated Property
Tfus	308.74	K	Joback Calculated Property
Vc	0.881	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[590.56; 685.85]	J/mol×K	[596.47; 763.83]
Cp,gas	590.56	J/mol×K	596.47	Joback Calculated Property
Cp,gas	608.23	J/mol×K	624.36	Joback Calculated Property
Cp,gas	625.16	J/mol×K	652.26	Joback Calculated Property
Cp,gas	641.36	J/mol×K	680.15	Joback Calculated Property
Cp,gas	656.87	J/mol×K	708.04	Joback Calculated Property
Cp,gas	671.69	J/mol×K	735.93	Joback Calculated Property
Cp,gas	685.85	J/mol×K	763.83	Joback Calculated Property
η	[0.0001743; 0.0037799]	Pa×s	[308.74; 596.47]
η	0.0037799	Pa×s	308.74	Joback Calculated Property
η	0.0016037	Pa×s	356.69	Joback Calculated Property
η	0.0008337	Pa×s	404.65	Joback Calculated Property
η	0.0004978	Pa×s	452.61	Joback Calculated Property
η	0.0003282	Pa×s	500.56	Joback Calculated Property
η	0.0002327	Pa×s	548.52	Joback Calculated Property
η	0.0001743	Pa×s	596.47	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.67]	kPa	[430.60; 598.87]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.52290e+01
Coefficient B			-4.96312e+03
Coefficient C			-9.84280e+01
Temperature range, min.			430.60
Temperature range, max.			598.87
Pvap	1.33	kPa	430.60	Calculated Property
Pvap	2.96	kPa	449.30	Calculated Property
Pvap	6.05	kPa	467.99	Calculated Property
Pvap	11.54	kPa	486.69	Calculated Property
Pvap	20.77	kPa	505.39	Calculated Property
Pvap	35.48	kPa	524.08	Calculated Property
Pvap	57.96	kPa	542.78	Calculated Property
Pvap	90.98	kPa	561.48	Calculated Property
Pvap	137.92	kPa	580.17	Calculated Property
Pvap	202.67	kPa	598.87	Calculated Property

Similar Compounds

Find more compounds similar to 3-Pentadecanone.

Sources

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

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