Chemical Properties of 2-Pentadecanone (CAS 2345-28-0)

InChI

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

InChI Key

CJPNOLIZCWDHJK-UHFFFAOYSA-N

Formula

C15H30O

SMILES

CCCCCCCCCCCCCC(C)=O

Molecular Weight¹

226.40

CAS

2345-28-0

Other Names

• 2-pentandecanone
• Methyl tridecyl ketone
• Pentadecan-2-one

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,solid : Solid phase 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_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_subH° : Enthalpy of sublimation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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.
• I : Polar retention indices.
• Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
• 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	0.7507		Relay (1.0) Calculated Property
ΔfG°	-53.50	kJ/mol	Joback Calculated Property
ΔfH°gas	-488.22	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	36.20	kJ/mol	Joback Calculated Property
ΔsubH°	[139.30; 139.30]	kJ/mol
ΔsubH°	139.30 ± 1.60	kJ/mol	NIST
ΔsubH°	139.30 ± 1.60	kJ/mol	NIST
ΔvapH°	[85.40; 85.40]	kJ/mol
ΔvapH°	85.40 ± 1.70	kJ/mol	NIST
ΔvapH°	85.40 ± 1.70	kJ/mol	NIST
IE	9.34	eV	Relay (1.0) Calculated Property
log10WS	-5.58		Relay (1.0) 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	[286.58; 1717.00]
Inp	1688.00		NIST
Inp	1679.00		NIST
Inp	Outlier 286.58		NIST
Inp	1690.90		NIST
Inp	1690.90		NIST
Inp	1685.60		NIST
Inp	1687.90		NIST
Inp	1678.10		NIST
Inp	1666.60		NIST
Inp	1688.00		NIST
Inp	1699.00		NIST
Inp	1698.00		NIST
Inp	1698.00		NIST
Inp	1698.00		NIST
Inp	1679.00		NIST
Inp	1682.00		NIST
Inp	1689.00		NIST
Inp	1703.00		NIST
Inp	1694.00		NIST
Inp	1682.00		NIST
Inp	1705.00		NIST
Inp	1682.00		NIST
Inp	1702.00		NIST
Inp	1671.00		NIST
Inp	1676.00		NIST
Inp	1699.00		NIST
Inp	1685.00		NIST
Inp	1681.00		NIST
Inp	1702.00		NIST
Inp	1681.00		NIST
Inp	1696.00		NIST
Inp	1713.00		NIST
Inp	1684.00		NIST
Inp	1670.00		NIST
Inp	1697.00		NIST
Inp	1698.00		NIST
Inp	1697.00		NIST
Inp	1702.00		NIST
Inp	1673.00		NIST
Inp	1703.00		NIST
Inp	1682.00		NIST
Inp	1683.00		NIST
Inp	1684.00		NIST
Inp	1717.00		NIST
Inp	1680.00		NIST
Inp	1675.00		NIST
Inp	1682.00		NIST
Inp	1681.00		NIST
Inp	1693.00		NIST
Inp	1678.00		NIST
Inp	1696.00		NIST
Inp	1678.00		NIST
Inp	1679.00		NIST
Inp	1697.00		NIST
Inp	1702.00		NIST
Inp	1689.00		NIST
Inp	1700.00		NIST
Inp	1699.00		NIST
Inp	1694.00		NIST
Inp	1708.00		NIST
Inp	1705.00		NIST
Inp	1697.00		NIST
Inp	1698.00		NIST
Inp	1670.00		NIST
Inp	1690.00		NIST
Inp	1696.00		NIST
Inp	1696.00		NIST
Inp	1705.00		NIST
Inp	1673.00		NIST
Inp	1679.00		NIST
Inp	1700.00		NIST
Inp	Outlier 286.58		NIST
Inp	1702.00		NIST
I	[1995.00; 2056.00]
I	2023.00		NIST
I	2011.00		NIST
I	2019.00		NIST
I	2010.00		NIST
I	2019.00		NIST
I	1996.00		NIST
I	2002.00		NIST
I	1997.00		NIST
I	2041.00		NIST
I	2027.00		NIST
I	2021.00		NIST
I	2028.00		NIST
I	2016.00		NIST
I	2023.00		NIST
I	1997.00		NIST
I	2029.00		NIST
I	2023.00		NIST
I	2031.00		NIST
I	Outlier 2056.00		NIST
I	1995.00		NIST
I	2017.00		NIST
I	2018.00		NIST
I	2031.00		NIST
I	2025.00		NIST
I	1998.00		NIST
I	2014.00		NIST
I	2010.00		NIST
I	2023.00		NIST
I	2020.00		NIST
I	2011.00		NIST
I	2011.00		NIST
Tboil	567.20	K	NIST
Tc	737.62	K	Relay (1.0) Calculated Property
Tfus	[312.20; 312.20]	K
Tfus	312.20 ± 0.10	K	NIST
Tfus	312.20 ± 0.10	K	NIST
Vc	0.872	m3/kmol	Relay (1.0) 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
Cp,solid	426.80	J/mol×K	298.15	NIST
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
ΔfusH	[54.39; 54.57]	kJ/mol	[312.20; 312.20]
ΔfusH	54.57	kJ/mol	312.20	NIST
ΔfusH	54.39	kJ/mol	312.20	NIST
ΔfusH	54.57	kJ/mol	312.20	NIST
ΔfusH	54.57	kJ/mol	312.20	NIST
ΔvapH	[57.90; 67.80]	kJ/mol	[498.50; 608.50]
ΔvapH	67.80	kJ/mol	498.50	NIST
ΔvapH	57.90	kJ/mol	608.50	NIST
ΔfusS	[174.80; 174.80]	J/mol×K	[312.20; 312.20]
ΔfusS	174.80	J/mol×K	312.20	NIST
ΔfusS	174.80	J/mol×K	312.20	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[430.82; 600.16]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.51655e+01
Coefficient B			-4.94155e+03
Coefficient C			-9.86790e+01
Temperature range, min.			430.82
Temperature range, max.			600.16
Pvap	1.33	kPa	430.82	Calculated Property
Pvap	2.96	kPa	449.64	Calculated Property
Pvap	6.06	kPa	468.45	Calculated Property
Pvap	11.57	kPa	487.27	Calculated Property
Pvap	20.82	kPa	506.08	Calculated Property
Pvap	35.57	kPa	524.90	Calculated Property
Pvap	58.07	kPa	543.71	Calculated Property
Pvap	91.11	kPa	562.53	Calculated Property
Pvap	138.02	kPa	581.34	Calculated Property
Pvap	202.66	kPa	600.16	Calculated Property

Similar Compounds

Find more compounds similar to 2-Pentadecanone.

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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