Chemical Properties of Propene (CAS 115-07-1)

Download as PDF file Download as Excel file Download as 2D mole file Predict properties

InChI

InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3

InChI Key

QQONPFPTGQHPMA-UHFFFAOYSA-N

Formula

C3H6

SMILES

C=CC

Molecular Weight¹

42.08

CAS

115-07-1

Other Names

• 1-Propene
• 1-Propylene
• CH3CH=CH2
• Methylethene
• Methylethylene
• NCI-C50077
• Propylene
• R 1270
• UN 1077

Sources

• Joback Method
• NIST Webbook
• Crippen Method

• PAff: Proton affinity (kJ/mol).
• BasG: Gas basicity (kJ/mol).
• Δ_cH°_gas: Standard gas enthalpy of combustion (kJ/mol).
• C_p,gas: Ideal gas heat capacity (J/mol×K).
• C_p,liquid: Liquid 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_vapH°: Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH: Enthalpy of vaporization at a given temperature (kJ/mol).
• IE: Ionization energy (eV).
• logP_oct/wat: Octanol/Water partition coefficient.
• P_c: Critical Pressure (kPa).
• P_triple: Triple Point Pressure (kPa).
• Δ_fusS: Entropy of fusion at a given temperature (J/mol×K).
• S°_liquid: Liquid phase molar entropy at standard conditions (J/mol×K).
• Δ_vapS: Entropy of vaporization 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).
• T_triple: Triple Point Temperature (K).
• V_c: Critical Volume (m³/kg-mol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
PAff	751.60	kJ/mol	NIST
BasG	722.70	kJ/mol	NIST
ΔcH°gas	-2057.80 ± 1.10	kJ/mol	NIST
ΔcH°gas	-2057.70 ± 0.60	kJ/mol	NIST
ΔfG°	62.22	kJ/mol	Joback Calculated Property
ΔfH°gas	20.41	kJ/mol	NIST
ΔfH°gas	20.41	kJ/mol	NIST
ΔfusH°	2.25	kJ/mol	Joback Calculated Property
ΔvapH°	16.04	kJ/mol	NIST
IE	[9.69; 10.20]	eV
IE	9.73 ± 0.01	eV	NIST
IE	9.73	eV	NIST
IE	9.69 ± 0.09	eV	NIST
IE	9.73 ± 0.02	eV	NIST
IE	9.70 ± 0.10	eV	NIST
IE	9.73 ± 0.01	eV	NIST
IE	9.74 ± 0.00	eV	NIST
IE	9.72	eV	NIST
IE	9.72	eV	NIST
IE	9.74	eV	NIST
IE	9.74 ± 0.01	eV	NIST
IE	9.69	eV	NIST
IE	9.76	eV	NIST
IE	9.73 ± 0.01	eV	NIST
IE	9.74	eV	NIST
IE	9.73 ± 0.02	eV	NIST
IE	9.73	eV	NIST
IE	9.73 ± 0.01	eV	NIST
IE	9.91 ± 0.01	eV	NIST
IE	Outlier 10.20	eV	NIST
IE	10.03	eV	NIST
IE	Outlier 10.20	eV	NIST
IE	9.70	eV	NIST
IE	9.90	eV	NIST
IE	9.86	eV	NIST
logPoct/wat	1.19		Crippen Calculated Property
Pc	[4579.00; 4664.60]	kPa
Pc	4600.00 ± 30.00	kPa	NIST
Pc	4579.00 ± 15.00	kPa	NIST
Pc	4664.60 ± 200.00	kPa	NIST
Pc	4621.00 ± 15.19	kPa	NIST
Pc	4594.68 ± 33.33	kPa	NIST
Ptriple	950.00 ± 15.00	kPa	NIST
S°liquid	195.70	J/mol×K	NIST
Tboil	[224.95; 226.20]	K
Tboil	225.80	K	NIST
Tboil	225.50	K	NIST
Tboil	225.50 ± 0.60	K	NIST
Tboil	225.50 ± 0.50	K	NIST
Tboil	225.53 ± 0.38	K	NIST
Tboil	225.40 ± 0.30	K	NIST
Tboil	225.65 ± 0.50	K	NIST
Tboil	Outlier 226.20 ± 0.30	K	NIST
Tboil	224.95 ± 0.60	K	NIST
Tc	[364.59; 365.75]	K
Tc	364.90 ± 0.40	K	NIST
Tc	364.59 ± 0.50	K	NIST
Tc	365.57 ± 0.50	K	NIST
Tc	364.91 ± 0.20	K	NIST
Tc	365.30 ± 0.50	K	NIST
Tc	365.75 ± 0.50	K	NIST
Tfus	[87.90; 88.25]	K
Tfus	88.00 ± 0.30	K	NIST
Tfus	87.90 ± 0.40	K	NIST
Tfus	88.25 ± 1.00	K	NIST
Tfus	87.95 ± 0.60	K	NIST
Ttriple	[86.85; 88.20]	K
Ttriple	87.85 ± 0.02	K	NIST
Ttriple	87.89 ± 0.02	K	NIST
Ttriple	87.90 ± 0.30	K	NIST
Ttriple	Outlier 86.85 ± 0.06	K	NIST
Ttriple	88.20 ± 0.30	K	NIST
Ttriple	88.00 ± 0.40	K	NIST
Vc	0.18	m3/kg-mol	NIST
Vc	0.19 ± 0.01	m3/kg-mol	NIST

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[44.52; 96.18]	J/mol×K	[148.20; 510.00]
Cp,gas	44.52	J/mol×K	148.2	NIST
Cp,gas	45.44	J/mol×K	157.6	NIST
Cp,gas	52.22	J/mol×K	213.1	NIST
Cp,gas	53.09	J/mol×K	220.1	NIST
Cp,gas	53.68	J/mol×K	223.7	NIST
Cp,gas	58.45	J/mol×K	258.0	NIST
Cp,gas	59.78	J/mol×K	270.0	NIST
Cp,gas	60.08 ± 0.13	J/mol×K	272.29	NIST
Cp,gas	61.45	J/mol×K	280.0	NIST
Cp,gas	63.43	J/mol×K	291.1	NIST
Cp,gas	63.79 ± 0.13	J/mol×K	298.15	NIST
Cp,gas	64.73 ± 0.13	J/mol×K	299.33	NIST
Cp,gas	64.71	J/mol×K	300.0	NIST
Cp,gas	67.89	J/mol×K	320.0	NIST
Cp,gas	67.88 ± 0.14	J/mol×K	323.15	NIST
Cp,gas	70.04 ± 0.17	J/mol×K	333.86	NIST
Cp,gas	71.03	J/mol×K	340.0	NIST
Cp,gas	71.78 ± 0.14	J/mol×K	348.15	NIST
Cp,gas	74.13	J/mol×K	360.0	NIST
Cp,gas	74.47 ± 0.15	J/mol×K	365.15	NIST
Cp,gas	75.02 ± 0.08	J/mol×K	367.11	NIST
Cp,gas	75.79 ± 0.15	J/mol×K	373.15	NIST
Cp,gas	79.85 ± 0.16	J/mol×K	378.15	NIST
Cp,gas	77.14	J/mol×K	380.0	NIST
Cp,gas	80.15	J/mol×K	400.0	NIST
Cp,gas	83.17	J/mol×K	420.0	NIST
Cp,gas	83.61 ± 0.17	J/mol×K	423.15	NIST
Cp,gas	86.09	J/mol×K	440.0	NIST
Cp,gas	87.44 ± 0.17	J/mol×K	448.15	NIST
Cp,gas	89.02	J/mol×K	460.0	NIST
Cp,gas	91.18 ± 0.18	J/mol×K	473.15	NIST
Cp,gas	91.91	J/mol×K	480.0	NIST
Cp,gas	94.76	J/mol×K	500.0	NIST
Cp,gas	96.18	J/mol×K	510.0	NIST
Cp,liquid	[90.00; 102.00]	J/mol×K	[210.30; 300.00]
Cp,liquid	90.00	J/mol×K	210.3	NIST
Cp,liquid	92.09	J/mol×K	230.0	NIST
Cp,liquid	102.00	J/mol×K	298.15	NIST
Cp,liquid	98.90	J/mol×K	300.0	NIST
η	0.00	Pa×s	264.72	Joback Calculated Property
ΔfusH	3.00	kJ/mol	87.85	NIST
ΔfusH	2.93	kJ/mol	88.2	NIST
ΔvapH	[18.42; 22.20]	kJ/mol	[132.50; 360.50]
ΔvapH	22.20	kJ/mol	132.5	NIST
ΔvapH	19.60	kJ/mol	196.0	NIST
ΔvapH	19.20	kJ/mol	201.5	NIST
ΔvapH	18.42	kJ/mol	225.35	NIST
ΔvapH	18.42	kJ/mol	225.5	NIST
ΔvapH	18.70	kJ/mol	249.5	NIST
ΔvapH	19.30	kJ/mol	259.5	NIST
ΔvapH	18.50	kJ/mol	298.5	NIST
ΔvapH	18.70	kJ/mol	330.0	NIST
ΔvapH	18.80	kJ/mol	344.0	NIST
ΔvapH	18.70	kJ/mol	360.5	NIST
ΔfusS	34.18	J/mol×K	87.85	NIST
ΔfusS	34.18	J/mol×K	87.85	NIST
ΔfusS	33.30	J/mol×K	88.2	NIST
ΔvapS	81.73	J/mol×K	225.35	NIST

Molecular Descriptors

Joback and Reid Groups
=CH2	1
-CH3	1
=CH-	1

Similar Compounds

Find more compounds similar to Propene.

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.