Chemical Properties of 1-Hepten-3-one (CAS 2918-13-0)

InChI

InChI=1S/C7H12O/c1-3-5-6-7(8)4-2/h4H,2-3,5-6H2,1H3

InChI Key

OYLCUJRJCUXQBQ-UHFFFAOYSA-N

Formula

C7H12O

SMILES

C=CC(=O)CCCC

Molecular Weight¹

112.17

CAS

2918-13-0

Other Names

• 1-Heptene-3-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).
• 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°	-33.02	kJ/mol	Joback Calculated Property
ΔfH°gas	-174.96	kJ/mol	Joback Calculated Property
ΔfusH°	14.20	kJ/mol	Joback Calculated Property
ΔvapH°	37.25	kJ/mol	Joback Calculated Property
log10WS	-1.89		Crippen Calculated Property
logPoct/wat	1.932		Crippen Calculated Property
McVol	106.760	ml/mol	McGowan Calculated Property
Pc	3138.51	kPa	Joback Calculated Property
Inp	[856.00; 888.00]
Inp	888.00		NIST
Inp	886.00		NIST
Inp	876.00		NIST
Inp	862.00		NIST
Inp	856.00		NIST
I	[1190.00; 1200.00]
I	1200.00		NIST
I	1190.00		NIST
I	1196.00		NIST
Tboil	410.11	K	Joback Calculated Property
Tc	590.38	K	Joback Calculated Property
Tfus	216.82	K	Joback Calculated Property
Vc	0.414	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[200.30; 258.07]	J/mol×K	[410.11; 590.38]
Cp,gas	200.30	J/mol×K	410.11	Joback Calculated Property
Cp,gas	211.03	J/mol×K	440.15	Joback Calculated Property
Cp,gas	221.31	J/mol×K	470.20	Joback Calculated Property
Cp,gas	231.14	J/mol×K	500.24	Joback Calculated Property
Cp,gas	240.53	J/mol×K	530.29	Joback Calculated Property
Cp,gas	249.51	J/mol×K	560.33	Joback Calculated Property
Cp,gas	258.07	J/mol×K	590.38	Joback Calculated Property
η	[0.0002965; 0.0036163]	Pa×s	[216.82; 410.11]
η	0.0036163	Pa×s	216.82	Joback Calculated Property
η	0.0018203	Pa×s	249.03	Joback Calculated Property
η	0.0010723	Pa×s	281.25	Joback Calculated Property
η	0.0007042	Pa×s	313.47	Joback Calculated Property
η	0.0005002	Pa×s	345.68	Joback Calculated Property
η	0.0003766	Pa×s	377.89	Joback Calculated Property
η	0.0002965	Pa×s	410.11	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[316.88; 469.23]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.37838e+01
Coefficient B			-3.46752e+03
Coefficient C			-5.99520e+01
Temperature range, min.			316.88
Temperature range, max.			469.23
Pvap	1.33	kPa	316.88	Calculated Property
Pvap	3.07	kPa	333.81	Calculated Property
Pvap	6.42	kPa	350.74	Calculated Property
Pvap	12.37	kPa	367.66	Calculated Property
Pvap	22.26	kPa	384.59	Calculated Property
Pvap	37.79	kPa	401.52	Calculated Property
Pvap	61.03	kPa	418.45	Calculated Property
Pvap	94.40	kPa	435.37	Calculated Property
Pvap	140.61	kPa	452.30	Calculated Property
Pvap	202.66	kPa	469.23	Calculated Property

Similar Compounds

Find more compounds similar to 1-Hepten-3-one.

Sources

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

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